 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer12_STD_B3LYPDBJ_def2SVPD.in
 Output=26_junionone_conformer12_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-26003.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     26014.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer12_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer12_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.485536000000     -1.394131000000      1.201364000000
  C                                                 1.966773000000     -0.392200000000      0.165915000000
  C                                                 0.868394000000      0.353659000000     -0.698378000000
  C                                                -0.497714000000      0.352190000000     -0.124912000000
  C                                                -1.585230000000     -0.118716000000     -0.740357000000
  C                                                -2.947927000000     -0.130962000000     -0.173989000000
  O                                                -3.869650000000     -0.592319000000     -0.821022000000
  C                                                 3.006329000000     -1.028151000000     -0.749724000000
  C                                                 2.432922000000      0.991915000000      0.695754000000
  C                                                 1.648186000000      1.678903000000     -0.442484000000
  C                                                -3.180010000000      0.431009000000      1.214107000000
  H                                                 3.509420000000      1.160900000000      0.735423000000
  H                                                 2.013908000000      1.213736000000      1.678261000000
  H                                                 0.832257000000      0.021669000000     -1.736686000000
  H                                                 1.043279000000      2.544670000000     -0.175495000000
  H                                                 2.275831000000      1.947927000000     -1.290478000000
  H                                                 2.329017000000     -1.760136000000      1.792254000000
  H                                                 1.010690000000     -2.255206000000      0.725171000000
  H                                                 0.763959000000     -0.954931000000      1.891159000000
  H                                                 2.586445000000     -1.890920000000     -1.272224000000
  H                                                 3.868238000000     -1.369574000000     -0.171198000000
  H                                                 3.366384000000     -0.323153000000     -1.501537000000
  H                                                -0.599262000000      0.771738000000      0.871956000000
  H                                                -1.515981000000     -0.539617000000     -1.738100000000
  H                                                -2.885796000000      1.481413000000      1.263267000000
  H                                                -2.589096000000     -0.110594000000      1.955779000000
  H                                                -4.235638000000      0.339532000000      1.456836000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519082   0.000000
     3  C    2.654177   1.584217   0.000000
     4  C    2.956675   2.590829   1.481593   0.000000
     5  C    3.850528   3.675983   2.499034   1.335371   0.000000
     6  C    4.810695   4.933362   3.882544   2.497877   1.475759
     7  O    5.780222   5.922662   4.833113   3.570241   2.334391
     8  C    2.500699   1.524305   2.546135   3.817597   4.680766
     9  C    2.616562   1.553640   2.190599   3.109882   4.409247
    10  C    3.488872   2.181998   1.558791   2.542815   3.711488
    11  C    5.009852   5.316555   4.478075   2.998983   2.581753
    12  H    3.292627   2.261906   3.111662   4.177477   5.456263
    13  H    2.703253   2.206455   2.774950   3.209663   4.536401
    14  H    3.326169   2.253509   1.090691   2.115628   2.618515
    15  H    4.195889   3.097516   2.259319   2.680333   3.784409
    16  H    4.243017   2.773588   2.207522   3.405506   4.413778
    17  H    1.092964   2.155794   3.578379   4.015950   4.942642
    18  H    1.092561   2.167407   2.975385   3.129926   3.667583
    19  H    1.090590   2.177130   2.903277   2.713840   3.625303
    20  H    2.752715   2.167579   2.884291   3.982450   4.563602
    21  H    2.749872   2.164365   3.499502   4.693416   5.623958
    22  H    3.462695   2.178090   2.709814   4.157215   5.013948
    23  H    3.024216   2.904786   2.189692   1.086314   2.089161
    24  H    4.287161   3.971974   2.750311   2.105840   1.085101
    25  H    5.232698   5.316205   4.383357   2.984145   2.875134
    26  H    4.338114   4.902944   4.383414   2.986189   2.876971
    27  H    5.983535   6.377445   5.540423   4.058838   3.473084
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216994   0.000000
     8  C    6.048932   6.890147   0.000000
     9  C    5.565145   6.673292   2.549288   0.000000
    10  C    4.946914   5.978984   3.044190   1.543810   0.000000
    11  C    1.515416   2.380032   6.652561   5.664655   5.254808
    12  H    6.647802   7.742543   2.692714   1.090402   2.262738
    13  H    5.464325   6.642628   3.450517   1.090916   2.201748
    14  H    4.093301   4.829426   2.608219   3.069246   2.255465
    15  H    4.805074   5.864663   4.116838   2.258590   1.089380
    16  H    5.732013   6.666346   3.111765   2.209922   1.088764
    17  H    5.862291   6.827626   2.730605   2.964269   4.157472
    18  H    4.581654   5.382715   2.768313   3.545053   4.152955
    19  H    4.326876   5.381240   3.465234   2.829247   3.628337
    20  H    5.910401   6.600842   1.092556   3.493887   3.783178
    21  H    6.927790   7.803929   1.092771   2.896268   3.780931
    22  H    6.455218   7.272946   1.091735   2.725590   2.842890
    23  H    2.724903   3.927119   4.343931   3.045269   2.757122
    24  H    2.159609   2.526572   4.654765   4.884984   4.075832
    25  H    2.160861   3.100418   6.713209   5.371261   4.848256
    26  H    2.159881   3.095562   6.282550   5.293756   5.187343
    27  H    2.130529   2.488158   7.693215   6.743481   6.326193
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.746136   0.000000
    13  H    5.273034   1.768698   0.000000
    14  H    4.997302   3.817902   3.805153   0.000000
    15  H    4.922878   2.970933   2.479903   2.974455   0.000000
    16  H    6.191945   2.499085   3.069373   2.448158   1.765920
    17  H    5.956908   3.323055   2.992692   4.227119   4.904744
    18  H    5.001677   4.232439   3.734754   3.358085   4.883756
    19  H    4.234870   3.653768   2.512133   3.757615   4.073854
    20  H    6.695162   3.767776   4.321117   2.636455   4.822721
    21  H    7.405334   2.711828   3.678659   3.688291   4.827185
    22  H    7.127325   2.688282   3.781843   2.568267   3.921685
    23  H    2.625533   4.129329   2.770225   3.068691   2.634081
    24  H    3.525143   5.853608   5.215926   2.414387   4.301671
    25  H    1.091937   6.424962   4.924527   4.995447   4.317196
    26  H    1.092058   6.348060   4.797761   5.035618   4.978645
    27  H    1.087031   7.821829   6.314276   5.998598   5.949294
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.822426   0.000000
    18  H    4.830088   1.766846   0.000000
    19  H    4.564554   1.762823   1.763837   0.000000
    20  H    3.851436   3.078051   2.570077   3.768889   0.000000
    21  H    3.846344   2.525249   3.123044   3.749906   1.768348
    22  H    2.528172   3.740335   3.773639   4.322285   1.766008
    23  H    3.784931   3.978964   3.431600   2.424568   4.672899
    24  H    4.556981   5.360697   3.923648   4.306058   4.344302
    25  H    5.777685   6.162933   5.425355   4.432915   6.909903
    26  H    6.200259   5.189948   4.367175   3.458332   6.354195
    27  H    7.248027   6.900421   5.898471   5.182687   7.678770
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765405   0.000000
    23  H    5.062800   4.749590   0.000000
    24  H    5.668670   4.892883   3.061441   0.000000
    25  H    7.470127   7.070386   2.425902   3.869000   0.000000
    26  H    6.914205   6.889554   2.431588   3.870449   1.761275
    27  H    8.440636   8.184245   3.708385   4.286847   1.778605
                   26         27
    26  H    0.000000
    27  H    1.778386   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.99D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1948938           0.5074064           0.4967916
 Leave Link  202 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       610.1943807680 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0455580233 Hartrees.
 Nuclear repulsion after empirical dispersion term =      610.1488227447 Hartrees.
 Leave Link  301 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.59D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 20:40:43 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:40:43 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer12_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:40:43 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.618689324199    
 DIIS: error= 2.63D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.618689324199     IErMin= 1 ErrMin= 2.63D-03
 ErrMax= 2.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.09D-03 BMatP= 8.09D-03
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.63D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.191 Goal=   None    Shift=    0.000
 GapD=    0.191 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.27D-02 MaxDP=1.18D+00              OVMax= 1.78D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.08D-02    CP:  1.31D+00
 E= -465.625808200417     Delta-E=       -0.007118876218 Rises=F Damp=F
 DIIS: error= 7.07D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.625808200417     IErMin= 2 ErrMin= 7.07D-04
 ErrMax= 7.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.70D-04 BMatP= 8.09D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.07D-03
 Coeff-Com:  0.367D-01 0.963D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.365D-01 0.964D+00
 Gap=     0.196 Goal=   None    Shift=    0.000
 RMSDP=5.56D-04 MaxDP=5.90D-02 DE=-7.12D-03 OVMax= 1.03D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.37D-04    CP:  1.32D+00  1.04D+00
 E= -465.625457171896     Delta-E=        0.000351028521 Rises=F Damp=F
 DIIS: error= 1.29D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.625808200417     IErMin= 2 ErrMin= 7.07D-04
 ErrMax= 1.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.48D-04 BMatP= 2.70D-04
 IDIUse=3 WtCom= 2.18D-01 WtEn= 7.82D-01
 Coeff-Com: -0.117D-01 0.634D+00 0.377D+00
 Coeff-En:   0.000D+00 0.686D+00 0.314D+00
 Coeff:     -0.254D-02 0.675D+00 0.328D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.23D-04 MaxDP=6.07D-03 DE= 3.51D-04 OVMax= 6.49D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.00D-04    CP:  1.32D+00  1.04D+00  7.03D-01
 E= -465.626033906590     Delta-E=       -0.000576734694 Rises=F Damp=F
 DIIS: error= 1.51D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.626033906590     IErMin= 4 ErrMin= 1.51D-04
 ErrMax= 1.51D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-05 BMatP= 2.70D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.51D-03
 Coeff-Com: -0.913D-02 0.325D+00 0.176D+00 0.508D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.911D-02 0.325D+00 0.175D+00 0.509D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=4.25D-05 MaxDP=2.34D-03 DE=-5.77D-04 OVMax= 7.18D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.03D-05    CP:  1.32D+00  1.04D+00  6.15D-01  8.66D-01
 E= -465.626050810571     Delta-E=       -0.000016903981 Rises=F Damp=F
 DIIS: error= 2.62D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.626050810571     IErMin= 5 ErrMin= 2.62D-05
 ErrMax= 2.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.96D-07 BMatP= 1.59D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.193D-02 0.390D-01 0.257D-01 0.141D+00 0.796D+00
 Coeff:     -0.193D-02 0.390D-01 0.257D-01 0.141D+00 0.796D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.31D-05 MaxDP=8.50D-04 DE=-1.69D-05 OVMax= 2.89D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.82D-06    CP:  1.32D+00  1.04D+00  6.29D-01  8.52D-01  9.16D-01
 E= -465.626051037169     Delta-E=       -0.000000226598 Rises=F Damp=F
 DIIS: error= 1.34D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.626051037169     IErMin= 6 ErrMin= 1.34D-05
 ErrMax= 1.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-07 BMatP= 3.96D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.599D-03 0.339D-02 0.507D-02 0.528D-01 0.492D+00 0.447D+00
 Coeff:     -0.599D-03 0.339D-02 0.507D-02 0.528D-01 0.492D+00 0.447D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=4.33D-06 MaxDP=1.73D-04 DE=-2.27D-07 OVMax= 2.30D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.78D-06    CP:  1.32D+00  1.04D+00  6.29D-01  8.58D-01  9.33D-01
                    CP:  6.36D-01
 E= -465.626051235699     Delta-E=       -0.000000198530 Rises=F Damp=F
 DIIS: error= 2.81D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.626051235699     IErMin= 7 ErrMin= 2.81D-06
 ErrMax= 2.81D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.40D-09 BMatP= 1.96D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.173D-03-0.841D-03 0.775D-03 0.160D-01 0.188D+00 0.230D+00
 Coeff-Com:  0.566D+00
 Coeff:     -0.173D-03-0.841D-03 0.775D-03 0.160D-01 0.188D+00 0.230D+00
 Coeff:      0.566D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=8.84D-07 MaxDP=3.45D-05 DE=-1.99D-07 OVMax= 5.65D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.50D-07    CP:  1.32D+00  1.04D+00  6.29D-01  8.60D-01  9.38D-01
                    CP:  6.34D-01  8.60D-01
 E= -465.626051242390     Delta-E=       -0.000000006691 Rises=F Damp=F
 DIIS: error= 1.03D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.626051242390     IErMin= 8 ErrMin= 1.03D-06
 ErrMax= 1.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-09 BMatP= 7.40D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.203D-04-0.959D-03-0.214D-03 0.193D-02 0.441D-01 0.760D-01
 Coeff-Com:  0.334D+00 0.545D+00
 Coeff:     -0.203D-04-0.959D-03-0.214D-03 0.193D-02 0.441D-01 0.760D-01
 Coeff:      0.334D+00 0.545D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=2.86D-07 MaxDP=1.22D-05 DE=-6.69D-09 OVMax= 1.34D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.15D-07    CP:  1.32D+00  1.04D+00  6.29D-01  8.60D-01  9.39D-01
                    CP:  6.36D-01  8.68D-01  7.67D-01
 E= -465.626051243624     Delta-E=       -0.000000001234 Rises=F Damp=F
 DIIS: error= 1.61D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.626051243624     IErMin= 9 ErrMin= 1.61D-07
 ErrMax= 1.61D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-11 BMatP= 1.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.451D-05-0.323D-03-0.119D-03-0.448D-03 0.379D-02 0.134D-01
 Coeff-Com:  0.906D-01 0.220D+00 0.673D+00
 Coeff:      0.451D-05-0.323D-03-0.119D-03-0.448D-03 0.379D-02 0.134D-01
 Coeff:      0.906D-01 0.220D+00 0.673D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=8.60D-08 MaxDP=3.06D-06 DE=-1.23D-09 OVMax= 1.40D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.02D-08    CP:  1.32D+00  1.04D+00  6.29D-01  8.60D-01  9.39D-01
                    CP:  6.39D-01  8.69D-01  7.74D-01  7.43D-01
 E= -465.626051243687     Delta-E=       -0.000000000063 Rises=F Damp=F
 DIIS: error= 4.39D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.626051243687     IErMin=10 ErrMin= 4.39D-08
 ErrMax= 4.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.13D-12 BMatP= 3.83D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.319D-05-0.106D-03-0.346D-04-0.322D-03-0.420D-03 0.236D-02
 Coeff-Com:  0.250D-01 0.742D-01 0.310D+00 0.589D+00
 Coeff:      0.319D-05-0.106D-03-0.346D-04-0.322D-03-0.420D-03 0.236D-02
 Coeff:      0.250D-01 0.742D-01 0.310D+00 0.589D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.96D-08 MaxDP=6.54D-07 DE=-6.30D-11 OVMax= 3.78D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.25D-08    CP:  1.32D+00  1.04D+00  6.29D-01  8.60D-01  9.39D-01
                    CP:  6.39D-01  8.70D-01  7.73D-01  7.73D-01  8.02D-01
 E= -465.626051243691     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 9.58D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.626051243691     IErMin=11 ErrMin= 9.58D-09
 ErrMax= 9.58D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-13 BMatP= 3.13D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.940D-06-0.189D-04-0.292D-06-0.105D-03-0.436D-03 0.382D-04
 Coeff-Com:  0.369D-02 0.146D-01 0.786D-01 0.245D+00 0.658D+00
 Coeff:      0.940D-06-0.189D-04-0.292D-06-0.105D-03-0.436D-03 0.382D-04
 Coeff:      0.369D-02 0.146D-01 0.786D-01 0.245D+00 0.658D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=4.65D-09 MaxDP=2.19D-07 DE=-4.09D-12 OVMax= 8.61D-08

 SCF Done:  E(RB3LYP) =  -465.626051244     A.U. after   11 cycles
            NFock= 11  Conv=0.46D-08     -V/T= 2.0116
 KE= 4.602677989323D+02 PE=-2.298219708246D+03 EE= 7.621770353255D+02
 Leave Link  502 at Thu Aug 12 20:42:36 2021, MaxMem=  5368709120 cpu:             894.7 elap:             112.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.61605900D+02

 Leave Link  801 at Thu Aug 12 20:42:36 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8187 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 7.35D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 2.47D-01 9.39D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 5.34D-02 7.92D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 5.88D-03 2.10D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 5.06D-04 5.42D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 2.69D-05 8.40D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 6.66D-07 1.18D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 1.22D-08 1.69D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 1.87D-10 1.69D-06.
     10 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 3.02D-12 2.11D-07.
      1 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 4.60D-14 3.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.175088D+03
      2  0.754987D+01  0.109926D+03
      3  0.504923D+01  0.437036D+01  0.112672D+03
 Isotropic polarizability for W=    0.085645      132.56 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.807330D+02 -0.462016D+02 -0.245332D+02
      2   0.669413D+02  0.410002D+02 -0.354205D+01
      3   0.137918D+02  0.520137D+01  0.280752D+02
      4  -0.456628D+02  0.990193D+02 -0.412966D+02
      5  -0.234225D+02 -0.466139D+02  0.222467D+02
      6  -0.255436D+02  0.139388D+02 -0.113588D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.962865D+01  0.931570D+01 -0.291084D+01
      2   0.171258D+02 -0.114934D+02  0.146834D+02
      3   0.317178D+02 -0.435244D+02  0.198210D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.531733D+01  0.174809D+02  0.165601D+02
      2  -0.111062D+01 -0.157529D+02  0.845491D+01
      3   0.538776D+00 -0.320780D+02  0.210703D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.283444D+01 -0.456410D+01 -0.506438D+01
      2  -0.456410D+01  0.115793D+01  0.425736D+01
      3  -0.506438D+01  0.425736D+01 -0.529347D+01
 OR G Eigenvalues:    -8.2366    -2.6441     9.5797  Iso=     0.4337
 Eigenvectors:
   (1)   0.309181  -0.263843   0.913671
   (2)   0.642249   0.766486   0.004007
   (3)   0.701373  -0.585565  -0.406436
 w=    0.085645 a.u., Optical Rotation Beta=      0.4337 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      135.11 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 4.52D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.66D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 6.15D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 4.37D-02 4.33D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 1.28D-03 6.26D-03.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 2.24D-05 6.34D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 2.57D-07 7.40D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.54D-09 3.79D-06.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 4.77D-12 2.36D-07.
     12 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.12D-14 1.13D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.00D-15
 Solved reduced A of dimension   222 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.79D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.79D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.43D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.175088D+03  0.754987D+01  0.504923D+01
      2   0.754987D+01  0.109926D+03  0.437036D+01
      3   0.504923D+01  0.437036D+01  0.112672D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.962865D+01  0.931570D+01 -0.291084D+01
      2   0.171258D+02 -0.114934D+02  0.146834D+02
      3   0.317178D+02 -0.435244D+02  0.198210D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.807330D+02 -0.462016D+02 -0.245332D+02
      2   0.669413D+02  0.410002D+02 -0.354205D+01
      3   0.137918D+02  0.520137D+01  0.280752D+02
      4  -0.456628D+02  0.990193D+02 -0.412966D+02
      5  -0.234225D+02 -0.466139D+02  0.222467D+02
      6  -0.255436D+02  0.139388D+02 -0.113588D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.297477D+01  0.155246D+01 -0.443552D+01  0.687951D+00  0.102331D+01
      2   0.155246D+01  0.899695D+00  0.386189D+01  0.102331D+01  0.352231D+01
      3  -0.443552D+01  0.386189D+01 -0.580463D+00  0.385821D+01  0.130666D+01
                 6             7             8             9            10 
      1   0.385821D+01 -0.477025D+01  0.392723D+01 -0.397073D+00  0.243624D+02
      2   0.130666D+01  0.392723D+01  0.188672D+01 -0.282892D+00 -0.274467D+01
      3  -0.112268D+01 -0.397073D+00 -0.282892D+00 -0.200141D+01  0.546724D+01
                11            12            13            14            15 
      1  -0.274467D+01  0.546724D+01 -0.716422D+01  0.170623D+01 -0.459119D+01
      2   0.101001D-01 -0.357309D+01  0.170623D+01 -0.480144D+01 -0.243040D+01
      3  -0.357309D+01  0.224134D+00 -0.459119D+01 -0.243040D+01  0.209567D-01
                16            17            18            19            20 
      1   0.200956D+02 -0.468420D+01  0.203957D+01 -0.473674D+02 -0.208750D+01
      2  -0.468420D+01 -0.228273D+01  0.211910D+00 -0.208750D+01 -0.426628D+01
      3   0.203957D+01  0.211910D+00  0.104506D+01 -0.424105D+01  0.119484D+01
                21            22            23            24            25 
      1  -0.424105D+01  0.510607D+01 -0.923623D+01  0.317904D+01 -0.981377D+01
      2   0.119484D+01 -0.923623D+01 -0.203391D+01 -0.611367D+00  0.244785D+01
      3  -0.661483D+00  0.317904D+01 -0.611367D+00  0.307687D+01 -0.918800D+00
                26            27            28            29            30 
      1   0.244785D+01 -0.918800D+00  0.638569D+02  0.611695D+01  0.434533D+01
      2  -0.879749D+00  0.289202D+01  0.611695D+01  0.326365D+01 -0.916577D-01
      3   0.289202D+01  0.378842D+01  0.434533D+01 -0.916577D-01  0.194107D+01
                31            32            33            34            35 
      1   0.135114D+02  0.750205D+01 -0.892466D+00  0.936144D+01 -0.722784D-01
      2   0.750205D+01  0.396581D+01 -0.687875D-01 -0.722784D-01  0.567189D+00
      3  -0.892466D+00 -0.687875D-01 -0.188989D+01  0.395044D+01 -0.181422D+01
                36            37            38            39            40 
      1   0.395044D+01 -0.598493D+02 -0.777685D+01 -0.569076D+01 -0.137574D+02
      2  -0.181422D+01 -0.777685D+01 -0.261776D+01 -0.473241D-02 -0.526256D+01
      3  -0.224647D+01 -0.569076D+01 -0.473241D-02 -0.794516D+00  0.148032D+00
                41            42            43            44            45 
      1  -0.526256D+01  0.148032D+00 -0.846522D+01 -0.120548D+00 -0.311955D+01
      2  -0.287358D+01 -0.235656D+00 -0.120548D+00 -0.690702D+00  0.259062D+01
      3  -0.235656D+00  0.307370D+01 -0.311955D+01  0.259062D+01  0.294884D+01
                46            47            48            49            50 
      1   0.449810D+02  0.794687D+01  0.606233D+01  0.116827D+02  0.204467D+01
      2   0.794687D+01  0.129369D+01  0.154283D+01  0.204467D+01  0.935101D+00
      3   0.606233D+01  0.154283D+01  0.120792D+01  0.231186D+01  0.195411D+00
                51            52            53            54            55 
      1   0.231186D+01  0.770657D+01  0.245568D+01  0.206039D+01 -0.397136D+02
      2   0.195411D+00  0.245568D+01  0.521296D+00 -0.113980D+01 -0.645824D+01
      3  -0.124936D+01  0.206039D+01 -0.113980D+01 -0.245073D+01 -0.571374D+01
                56            57            58            59            60 
      1  -0.645824D+01 -0.571374D+01 -0.156507D+02 -0.688644D+01 -0.145736D+01
      2  -0.247157D+01 -0.115893D+01 -0.688644D+01 -0.412249D+01 -0.213709D+01
      3  -0.115893D+01 -0.281451D+01 -0.145736D+01 -0.213709D+01 -0.691516D+00
                61            62            63            64            65 
      1  -0.227188D+02 -0.346145D+01 -0.601859D+01 -0.871038D+01  0.180660D+01
      2  -0.346145D+01 -0.153172D+01 -0.145807D+01  0.180660D+01  0.615613D+00
      3  -0.601859D+01 -0.145807D+01 -0.427273D+01 -0.321521D+01  0.406280D+01
                66            67            68            69            70 
      1  -0.321521D+01  0.210333D+01 -0.664342D+00  0.400510D+01 -0.862091D+01
      2   0.406280D+01 -0.664342D+00  0.287799D+01  0.343924D+01  0.419919D+01
      3   0.421130D-01  0.400510D+01  0.343924D+01 -0.122010D+01 -0.139569D+01
                71            72            73            74            75 
      1   0.419919D+01 -0.139569D+01 -0.646789D+01 -0.193746D+01 -0.169729D+01
      2   0.310292D+01 -0.432657D+00 -0.193746D+01  0.167350D+01 -0.452343D+00
      3  -0.432657D+00  0.168263D+01 -0.169729D+01 -0.452343D+00  0.274247D+01
                76            77            78            79            80 
      1  -0.196658D+01  0.240089D+01 -0.749726D+00  0.150281D+00 -0.214054D+00
      2   0.240089D+01  0.596596D+01  0.250457D+01 -0.214054D+00  0.204556D+01
      3  -0.749726D+00  0.250457D+01 -0.170853D+01  0.247623D+01 -0.250201D+01
                81            82            83            84            85 
      1   0.247623D+01  0.738408D+01  0.262633D+01  0.101441D+01  0.607586D+01
      2  -0.250201D+01  0.262633D+01  0.482932D+01  0.268086D+01  0.699421D+01
      3  -0.285659D+01  0.101441D+01  0.268086D+01 -0.331177D+01  0.166885D+01
                86            87            88            89            90 
      1   0.699421D+01  0.166885D+01  0.885195D+01  0.535654D+01 -0.370317D+01
      2  -0.163709D+01  0.464123D+00  0.535654D+01  0.640070D+00 -0.174986D+00
      3   0.464123D+00  0.575413D-01 -0.370317D+01 -0.174986D+00  0.476080D+00
                91            92            93            94            95 
      1   0.946278D+01  0.103725D+01 -0.292444D+01  0.216935D+01 -0.130140D+01
      2   0.103725D+01 -0.233684D+01 -0.144322D+00 -0.130140D+01 -0.409856D+01
      3  -0.292444D+01 -0.144322D+00 -0.301181D+01 -0.527024D+00 -0.141019D+01
                96            97            98            99           100 
      1  -0.527024D+00 -0.967639D+00 -0.389622D+00 -0.303177D+01  0.113025D+02
      2  -0.141019D+01 -0.389622D+00 -0.680740D+00  0.209523D+01  0.269716D+01
      3   0.233729D+01 -0.303177D+01  0.209523D+01  0.771678D+00  0.241640D+01
               101           102           103           104           105 
      1   0.269716D+01  0.241640D+01  0.116532D+01  0.159669D+01  0.272935D+00
      2   0.200258D+01  0.653239D+00  0.159669D+01  0.652087D+00  0.224474D+00
      3   0.653239D+00  0.142277D+01  0.272935D+00  0.224474D+00  0.346632D+00
               106           107           108           109           110 
      1   0.591419D+00  0.215458D+00  0.116669D+01 -0.233073D+00  0.566489D+00
      2   0.215458D+00 -0.144549D+00  0.645922D+00  0.566489D+00 -0.962453D+00
      3   0.116669D+01  0.645922D+00  0.105934D+01  0.103671D+01 -0.409573D+00
               111           112           113           114           115 
      1   0.103671D+01  0.187803D+00 -0.141530D+00  0.660213D-01  0.967697D+00
      2  -0.409573D+00 -0.141530D+00  0.736383D+00  0.102639D+01  0.584181D-01
      3  -0.207145D+01  0.660213D-01  0.102639D+01  0.144887D+01 -0.159895D+00
               116           117           118           119           120 
      1   0.584181D-01 -0.159895D+00 -0.572543D-01 -0.458336D+00 -0.666237D+00
      2   0.197255D+01  0.218515D+01 -0.458336D+00  0.318862D+00 -0.137509D+00
      3   0.218515D+01  0.753576D+01 -0.666237D+00 -0.137509D+00 -0.504963D-01
               121           122           123           124           125 
      1  -0.223078D+01  0.407604D+00 -0.317172D-01 -0.104921D+01  0.752440D-01
      2   0.407604D+00 -0.774048D+00 -0.120353D+01  0.752440D-01 -0.123292D+01
      3  -0.317172D-01 -0.120353D+01 -0.171028D+01  0.472656D+00 -0.116536D+01
               126           127           128           129           130 
      1   0.472656D+00 -0.209441D+01  0.165634D+01 -0.976747D-01 -0.183943D+00
      2  -0.116536D+01  0.165634D+01 -0.432155D+01 -0.237316D+00 -0.196143D+01
      3  -0.696025D+01 -0.976747D-01 -0.237316D+00 -0.270237D+00 -0.284691D+00
               131           132           133           134           135 
      1  -0.196143D+01 -0.284691D+00  0.108342D+00 -0.617932D+00  0.222462D+00
      2   0.827476D+01  0.398083D-01 -0.617932D+00  0.149754D+01  0.119312D+01
      3   0.398083D-01  0.890865D+00  0.222462D+00  0.119312D+01  0.271270D+00
               136           137           138           139           140 
      1   0.325423D+01  0.162378D+01 -0.204155D+01 -0.554209D+00  0.843479D+00
      2   0.162378D+01  0.156297D+01 -0.148288D+01  0.843479D+00  0.219481D+01
      3  -0.204155D+01 -0.148288D+01  0.254115D+01 -0.103604D+01 -0.154182D+01
               141           142           143           144           145 
      1  -0.103604D+01 -0.498538D+01 -0.266469D+01  0.302061D+01  0.558361D+01
      2  -0.154182D+01 -0.266469D+01 -0.291126D+01  0.248248D+01 -0.247355D+01
      3   0.127433D+01  0.302061D+01  0.248248D+01 -0.467772D+01  0.334381D+01
               146           147           148           149           150 
      1  -0.247355D+01  0.334381D+01 -0.121520D+01  0.158428D+01 -0.135394D+01
      2   0.249348D+01 -0.222476D+01  0.158428D+01 -0.243289D+01  0.147112D+01
      3  -0.222476D+01  0.331016D+01 -0.135394D+01  0.147112D+01 -0.123026D+01
               151           152           153           154           155 
      1   0.209883D+01 -0.170008D+01  0.244017D+01 -0.125245D+01 -0.149431D+01
      2  -0.170008D+01  0.137655D+01 -0.191215D+01 -0.149431D+01 -0.250199D+01
      3   0.244017D+01 -0.191215D+01  0.381384D+01  0.130227D+00 -0.418625D+00
               156           157           158           159           160 
      1   0.130227D+00 -0.112233D+01 -0.145331D+01 -0.440558D+00 -0.412414D+00
      2  -0.418625D+00 -0.145331D+01 -0.683392D+01 -0.432432D+00 -0.735591D+00
      3  -0.517587D+00 -0.440558D+00 -0.432432D+00 -0.113260D+01 -0.293448D+00
               161           162           163           164           165 
      1  -0.735591D+00 -0.293448D+00 -0.341113D+01  0.710800D+00  0.200789D+01
      2  -0.257128D+01 -0.854887D+00  0.710800D+00 -0.108586D+01 -0.331546D+00
      3  -0.854887D+00 -0.803978D+00  0.200789D+01 -0.331546D+00 -0.240667D+01
               166           167           168           169           170 
      1   0.170819D+01 -0.100347D+01 -0.767967D+00  0.165664D+01 -0.674499D+00
      2  -0.100347D+01  0.710123D+00  0.354180D+00 -0.674499D+00  0.659749D+00
      3  -0.767967D+00  0.354180D+00  0.159999D+01 -0.198269D+01  0.310290D+00
               171           172           173           174           175 
      1  -0.198269D+01 -0.184333D+00 -0.711349D+00 -0.726906D-01 -0.143409D+01
      2   0.310290D+00 -0.711349D+00 -0.198204D+01 -0.123919D+01  0.458659D+00
      3   0.405108D+01 -0.726906D-01 -0.123919D+01 -0.113433D+01 -0.503482D-01
               176           177           178           179           180 
      1   0.458659D+00 -0.503482D-01 -0.752503D-01 -0.221196D+00  0.314305D+00
      2  -0.608868D+01 -0.292203D+01 -0.221196D+00 -0.275348D+01 -0.213273D+01
      3  -0.292203D+01 -0.213602D+01  0.314305D+00 -0.213273D+01 -0.261481D+01
               181           182           183           184           185 
      1   0.911753D+01 -0.309073D+01  0.168556D+01 -0.233868D+01  0.224359D+01
      2  -0.309073D+01  0.176652D+01 -0.834601D+00  0.224359D+01 -0.196546D+01
      3   0.168556D+01 -0.834601D+00  0.140078D+01 -0.775179D+00  0.191712D+00
               186           187           188           189           190 
      1  -0.775179D+00  0.614466D+01 -0.204315D+01  0.183450D+01  0.301636D+01
      2   0.191712D+00 -0.204315D+01  0.116993D+01 -0.683464D+00  0.731155D+00
      3  -0.436743D+00  0.183450D+01 -0.683464D+00  0.150246D+01 -0.136583D+01
               191           192           193           194           195 
      1   0.731155D+00 -0.136583D+01  0.208512D+01  0.786176D+00 -0.184141D+01
      2   0.565405D+00 -0.974213D+00  0.786176D+00  0.207403D+01 -0.170743D+01
      3  -0.974213D+00  0.149791D+01 -0.184141D+01 -0.170743D+01  0.250514D+01
               196           197           198           199           200 
      1  -0.169779D+01 -0.102834D+01  0.248967D+01  0.136247D+01  0.828475D+00
      2  -0.102834D+01 -0.176939D+01  0.142737D+01  0.828475D+00  0.107854D+00
      3   0.248967D+01  0.142737D+01 -0.442073D+01  0.119551D+01 -0.117644D+00
               201           202           203           204           205 
      1   0.119551D+01  0.165810D+01 -0.104436D+01  0.305328D+00  0.161012D+01
      2  -0.117644D+00 -0.104436D+01  0.608321D+00  0.105839D+01  0.469825D+00
      3  -0.482526D+00  0.305328D+00  0.105839D+01  0.158631D+01 -0.338311D+00
               206           207           208           209           210 
      1   0.469825D+00 -0.338311D+00 -0.807364D+00 -0.509749D+00 -0.941959D+00
      2   0.139630D+01  0.156221D+01 -0.509749D+00 -0.680812D-01 -0.234660D-01
      3   0.156221D+01  0.438344D+01 -0.941959D+00 -0.234660D-01  0.456019D-01
               211           212           213           214           215 
      1  -0.936365D+00  0.986880D-01 -0.408253D+00 -0.172860D+01 -0.307113D+00
      2   0.986880D-01 -0.123994D+01 -0.152273D+01 -0.307113D+00 -0.162128D+01
      3  -0.408253D+00 -0.152273D+01 -0.246502D+01 -0.271312D+00 -0.216153D+01
               216           217           218           219           220 
      1  -0.271312D+00 -0.973041D+00  0.626059D+00  0.201647D+00  0.224350D+01
      2  -0.216153D+01  0.626059D+00  0.116124D+01  0.330718D+00 -0.310325D+00
      3  -0.703394D+01  0.201647D+00  0.330718D+00  0.103090D+01 -0.783454D+00
               221           222           223           224           225 
      1  -0.310325D+00 -0.783454D+00  0.115303D+01  0.122582D+00  0.248907D-01
      2   0.722456D+01  0.176344D+01  0.122582D+00  0.517407D+00  0.767943D+00
      3   0.176344D+01  0.184687D+01  0.248907D-01  0.767943D+00  0.802248D+00
               226           227           228           229           230 
      1   0.455643D+00 -0.958010D+00  0.960389D+00 -0.118429D+01  0.566977D+00
      2  -0.958010D+00  0.111728D+01 -0.416262D+00  0.566977D+00 -0.108075D+01
      3   0.960389D+00 -0.416262D+00  0.273898D+01 -0.120234D+00  0.163969D+01
               231           232           233           234           235 
      1  -0.120234D+00  0.285123D+01 -0.434939D+00  0.499376D+00 -0.100430D+02
      2   0.163969D+01 -0.434939D+00  0.142945D+01 -0.141647D+01  0.174037D+00
      3  -0.256553D+01  0.499376D+00 -0.141647D+01  0.506223D+01  0.323649D+01
               236           237           238           239           240 
      1   0.174037D+00  0.323649D+01 -0.645897D+00 -0.992103D+00  0.296187D+00
      2  -0.106733D+01 -0.545216D-01 -0.992103D+00  0.240515D+00  0.544264D+00
      3  -0.545216D-01 -0.203810D+01  0.296187D+00  0.544264D+00 -0.506835D+00
               241           242           243 
      1   0.195742D+01  0.416709D-01 -0.138166D+01
      2   0.416709D-01  0.286557D+00 -0.233039D+00
      3  -0.138166D+01 -0.233039D+00  0.114498D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.646860D+01  0.990844D+01  0.564217D+01  0.929187D+01  0.978716D+01
      2  -0.967722D+01  0.223890D+01  0.791306D+01  0.783229D+01 -0.104863D+00
      3  -0.369257D+01 -0.822690D+01  0.226963D+01 -0.891820D-01 -0.769568D+01
                 6             7             8             9            10 
      1  -0.229955D+01  0.595591D+01  0.497511D+01 -0.541398D+01  0.387106D+01
      2  -0.740681D+01  0.330744D+01 -0.758614D+01 -0.295828D+01  0.226032D+02
      3  -0.922757D+01  0.629699D+00 -0.112587D+02  0.719351D+00  0.116985D+02
                11            12            13            14            15 
      1  -0.526289D+01 -0.182965D+00 -0.634003D+01 -0.645030D+01 -0.532071D+01
      2  -0.866315D+01  0.485528D+01 -0.122608D+02 -0.338490D+01  0.152830D+00
      3  -0.228640D+01  0.790578D+01  0.679579D+01  0.131161D+02  0.983641D+01
                16            17            18            19            20 
      1   0.191775D+01  0.407465D+01 -0.331903D+00  0.237838D+01  0.242291D+01
      2   0.768127D+01  0.113669D+01  0.330764D+01 -0.342684D+02 -0.185581D+01
      3   0.112885D+02  0.100299D+02 -0.684241D+00 -0.181806D+02 -0.372643D+01
                21            22            23            24            25 
      1  -0.133921D+01  0.591729D+01  0.358700D+01 -0.277407D+01 -0.402438D+01
      2  -0.851254D-01  0.679052D+00 -0.757721D+01  0.495859D+01 -0.189408D+02
      3  -0.347148D+01  0.674932D+01 -0.658078D+01  0.267936D+01 -0.422308D+01
                26            27            28            29            30 
      1   0.399541D+01 -0.401873D+01 -0.880914D+01  0.122327D+01 -0.638704D+00
      2   0.282122D+01  0.523039D+00  0.361919D+02  0.577404D+01 -0.179369D+01
      3   0.651045D+00 -0.200893D+01  0.174672D+02  0.774200D+01 -0.185620D+00
                31            32            33            34            35 
      1   0.630683D+01 -0.746102D+00 -0.293148D+01 -0.293604D+01  0.237968D+01
      2   0.143073D+02  0.371261D+01 -0.157847D+00 -0.216774D+02 -0.197545D+01
      3   0.383178D+02  0.966586D+01  0.287001D+01 -0.106293D+01 -0.347138D+00
                36            37            38            39            40 
      1   0.323920D+01  0.885241D+01 -0.262848D+01  0.132336D+01 -0.895490D+01
      2  -0.416388D+00 -0.251176D+02 -0.564392D+01  0.401886D+01 -0.140475D+02
      3   0.350657D+00 -0.233443D+02 -0.115720D+02 -0.529531D+00 -0.369927D+01
                41            42            43            44            45 
      1  -0.355300D+00 -0.737784D+00  0.915272D+01  0.182235D+01 -0.505094D+00
      2  -0.405539D+01 -0.514666D+01 -0.144084D+02 -0.667005D+01 -0.122974D+02
      3  -0.360300D+01  0.191458D+01  0.164708D+01  0.321196D+01  0.375371D+01
                46            47            48            49            50 
      1  -0.683201D+01  0.100340D+02 -0.749915D+00  0.267217D+01 -0.637978D+01
      2   0.839444D+01  0.611508D+01 -0.839087D+01  0.515286D+01  0.239611D+00
      3   0.154459D+02  0.177836D+02  0.347965D+00  0.250631D+02  0.651314D+01
                51            52            53            54            55 
      1  -0.138675D+02  0.311896D+00 -0.253416D+01  0.946235D+01  0.425542D+01
      2  -0.198710D+01 -0.152400D+02  0.104144D+01  0.705526D+01 -0.999924D+01
      3  -0.257610D+01 -0.250672D+00  0.165637D+01 -0.128234D+01 -0.126935D+02
                56            57            58            59            60 
      1  -0.259068D+01 -0.866231D+00  0.431212D+01  0.286306D+01  0.307398D+00
      2  -0.179515D+01  0.176994D+02 -0.638000D+01  0.201764D+01  0.655529D+01
      3  -0.195805D+02 -0.228221D+01 -0.147289D+02 -0.145387D+02 -0.437775D+01
                61            62            63            64            65 
      1   0.838662D+00  0.362665D+01 -0.300066D+01 -0.413409D+01  0.510192D+01
      2  -0.303212D+00  0.178928D+01  0.133682D+02 -0.154569D+02  0.152825D+02
      3  -0.609488D+01 -0.984745D+01 -0.375098D+01 -0.174766D-01 -0.593543D+01
                66            67            68            69            70 
      1  -0.516975D+01  0.715203D+01  0.232053D+01 -0.726912D+01 -0.814093D+01
      2  -0.112186D+01  0.142058D+02  0.122544D+02  0.112714D+00 -0.150149D+02
      3  -0.107820D+02  0.532857D+01 -0.106119D+02 -0.180097D+02 -0.120919D+02
                71            72            73            74            75 
      1  -0.117092D+01  0.401320D+01 -0.125979D+01  0.498531D+01 -0.553859D+01
      2   0.351633D+01  0.645249D+01  0.692639D+01  0.233126D+01  0.131929D+02
      3  -0.164699D+02  0.312068D+01 -0.222303D+01 -0.125343D+02  0.327500D+00
                76            77            78            79            80 
      1   0.164366D+01  0.253976D+01  0.466177D+01 -0.404993D+01  0.942608D+01
      2   0.475879D+00  0.417074D+01 -0.543981D+01  0.542357D+01 -0.800945D+01
      3  -0.551021D+01 -0.141540D+02 -0.942514D+01  0.149083D+01 -0.822852D+01
                81            82            83            84            85 
      1   0.428890D+00 -0.278578D+01 -0.120281D+02  0.837453D+01 -0.128612D+02
      2  -0.119484D+02  0.771952D+01  0.566310D+01 -0.319461D+01  0.819888D+01
      3   0.122053D+02  0.841448D+00 -0.934299D+01 -0.399800D+01  0.407383D+01
                86            87            88            89            90 
      1   0.111950D+01 -0.404842D+01  0.830930D+01  0.260476D+01  0.997805D-02
      2   0.686033D+01  0.166239D+01 -0.241580D+01  0.361301D+01 -0.272524D+01
      3   0.162715D+02  0.481180D+01  0.448995D+00  0.103291D+02 -0.975614D+01
                91            92            93            94            95 
      1   0.195563D+01 -0.628691D+01  0.342704D+01  0.398287D+01 -0.733442D+01
      2   0.274331D+01 -0.979139D+00  0.192256D+02  0.309889D+00  0.953771D+01
      3   0.659763D+01 -0.106059D+02 -0.191500D+01  0.376722D+00 -0.157805D+02
                96            97            98            99           100 
      1  -0.100951D+02 -0.113383D+01  0.238100D+01  0.411195D+01 -0.903772D+00
      2  -0.101412D+02  0.801251D+01 -0.766416D+01  0.223529D+01 -0.420276D+01
      3  -0.595094D+01 -0.132183D+01 -0.717676D+00  0.564936D+01  0.700458D+01
               101           102           103           104           105 
      1   0.177134D+01 -0.198381D+01  0.453147D+00 -0.446595D-02 -0.138844D+01
      2  -0.251594D+00  0.506848D+01 -0.668515D+00 -0.633841D+00  0.107251D+01
      3  -0.609670D+01  0.964227D+00 -0.494083D+00  0.967156D-01  0.466402D+00
               106           107           108           109           110 
      1  -0.106487D+01 -0.400113D-01 -0.756639D+00 -0.788940D+00 -0.165460D+01
      2   0.115159D+01  0.136129D+01  0.233006D+01  0.435148D+01 -0.167848D+01
      3   0.442310D+00  0.491139D+00 -0.376024D+00 -0.231150D+01  0.247074D+01
               111           112           113           114           115 
      1   0.264589D+01 -0.720725D+00 -0.783968D+00 -0.202247D+01  0.659426D+00
      2  -0.654495D+01 -0.799908D+00  0.339743D+01  0.375439D+01 -0.571341D+01
      3   0.241527D+01  0.243336D+01 -0.155441D+01 -0.243547D+01  0.220906D+01
               116           117           118           119           120 
      1   0.185370D+01 -0.768186D+01  0.461435D+00  0.447212D+00  0.116232D+00
      2   0.557618D+01  0.211397D+02 -0.178320D+01 -0.568088D+00  0.481547D+00
      3  -0.436175D+01 -0.622355D+01  0.558831D+00 -0.110195D+01 -0.275180D+00
               121           122           123           124           125 
      1   0.157037D+01  0.208047D+01  0.746344D+00 -0.390477D+00  0.471800D+01
      2  -0.180971D+01 -0.585046D+00 -0.186237D+01 -0.401361D+01 -0.921325D+00
      3   0.184078D+01  0.486892D+00  0.870260D+00 -0.169662D+00  0.483212D+00
               126           127           128           129           130 
      1   0.313754D+01 -0.690143D+00  0.338938D+01  0.205045D+01  0.174920D+01
      2  -0.616381D+01 -0.149623D+01  0.365131D+00  0.385686D+00 -0.960815D+00
      3   0.144386D+01 -0.879664D+01  0.969258D+01  0.398098D+00  0.914722D+01
               131           132           133           134           135 
      1  -0.514160D+01 -0.478682D+01 -0.952539D-01 -0.236945D+01 -0.171559D+01
      2  -0.132874D+01  0.277535D+00 -0.711710D+00  0.143287D+01  0.578393D+00
      3  -0.181096D+02 -0.510894D+00  0.194720D+01 -0.415849D+01 -0.169060D+01
               136           137           138           139           140 
      1   0.343779D+01  0.158791D+01 -0.575676D+01  0.165214D+01  0.184325D+01
      2  -0.258444D+00 -0.149556D+01  0.457831D+01 -0.224042D+01 -0.207678D+01
      3   0.393519D+01 -0.193737D+01 -0.143873D+01  0.441350D-01 -0.284321D+01
               141           142           143           144           145 
      1  -0.257550D+01 -0.559034D+01 -0.848622D+00  0.955168D+01  0.185917D+01
      2   0.217126D+01 -0.317706D+00  0.252337D+01 -0.613358D+01 -0.271225D+01
      3   0.481884D+00 -0.443669D+01  0.129256D+01  0.147121D+01 -0.416543D+01
               146           147           148           149           150 
      1   0.645309D+00  0.316880D+01 -0.272933D-01 -0.125879D+01 -0.152954D+01
      2  -0.980086D+00  0.344381D+01  0.189592D+01  0.601131D+00 -0.214079D+00
      3  -0.264235D+01 -0.633281D+00  0.178416D+01  0.252470D+01  0.266364D-01
               151           152           153           154           155 
      1   0.144484D+01  0.557716D+00  0.420526D+01 -0.227623D+01 -0.481620D+01
      2  -0.250245D+01 -0.448236D+00  0.375066D+01  0.253684D+01  0.180213D+01
      3  -0.291414D+01 -0.113458D+00 -0.673320D+00  0.723754D+01  0.577605D+01
               156           157           158           159           160 
      1  -0.290374D+01 -0.329460D+01 -0.106384D+02 -0.529044D+01 -0.203550D+01
      2   0.166925D+00  0.138401D+01  0.296964D+01  0.221346D-01 -0.102599D+01
      3   0.858906D+00  0.729398D+01  0.139318D+02  0.135125D+01  0.330775D+01
               161           162           163           164           165 
      1  -0.366438D+01 -0.387595D+01  0.642432D+01 -0.454753D+01 -0.450642D+01
      2   0.416417D+00 -0.177936D+00  0.126335D+02 -0.254593D+01 -0.559580D+01
      3   0.581742D+01  0.210784D+01  0.598969D+01 -0.108087D+01 -0.336100D+01
               166           167           168           169           170 
      1  -0.447525D+01  0.321941D+01  0.182639D+01 -0.505651D+01  0.386080D+01
      2  -0.590129D+01  0.239481D+01  0.343025D+01 -0.901259D+01  0.205714D+01
      3   0.102349D+00  0.831442D+00  0.121717D+01 -0.335584D+01  0.171182D+01
               171           172           173           174           175 
      1   0.678760D+01  0.552203D+00  0.442358D+00 -0.107544D+01  0.106756D+00
      2   0.857067D+01 -0.183225D+01 -0.476922D+01 -0.283507D+01 -0.250456D+01
      3   0.340899D+01  0.453304D+01  0.644921D+01  0.417861D+01  0.286840D+01
               176           177           178           179           180 
      1   0.215789D+01 -0.276291D+01  0.614053D+00  0.134628D+01 -0.252835D+01
      2  -0.101631D+02 -0.737873D+01 -0.966546D+00 -0.745236D+01 -0.819894D+01
      3   0.198127D+02  0.100587D+02  0.217773D+01  0.101114D+02  0.716973D+01
               181           182           183           184           185 
      1   0.464700D+01 -0.209726D+01  0.349572D+01 -0.252580D+01  0.132774D+01
      2   0.116104D+02 -0.519822D+01  0.917054D+01 -0.433137D+01  0.201680D+01
      3  -0.532302D+00 -0.533725D+01  0.858433D+00 -0.276195D+01  0.488187D+01
               186           187           188           189           190 
      1  -0.182671D+01  0.305122D+01 -0.315065D+00  0.276586D+01 -0.255603D+01
      2  -0.318490D+01  0.809445D+01 -0.332702D+01  0.751248D+01 -0.204972D+01
      3   0.398913D+00  0.194133D+01 -0.290523D+01  0.339107D+00 -0.422950D+01
               191           192           193           194           195 
      1  -0.229087D+01  0.262662D+01 -0.237987D+01 -0.627497D+01  0.374532D+01
      2  -0.241803D+01  0.488594D+01 -0.308018D+01 -0.541726D+01  0.750458D+01
      3  -0.373267D+01  0.468399D+01 -0.292475D+01 -0.929036D+01  0.735179D+01
               196           197           198           199           200 
      1   0.365286D+01  0.615781D+01 -0.607962D+01  0.120087D+00 -0.416045D+00
      2   0.427591D+01  0.417840D+01 -0.128447D+02  0.292966D+00  0.210342D+00
      3   0.475260D+01  0.812636D+01 -0.704967D+01  0.941172D+00  0.585021D+00
               201           202           203           204           205 
      1   0.456950D+00 -0.415010D+01 -0.475099D+00 -0.217304D+01  0.150444D+01
      2  -0.152965D+00 -0.147537D+01 -0.149148D+01 -0.638435D+00 -0.273374D+01
      3   0.791412D+00  0.221933D+01 -0.188781D+00 -0.965706D-02  0.188550D+01
               206           207           208           209           210 
      1   0.181853D+01 -0.345188D+01  0.830621D+00 -0.432928D+00 -0.268827D-01
      2   0.235620D+00 -0.226412D+01  0.112300D+01 -0.869759D-01  0.556082D+00
      3   0.738446D+00 -0.859398D-01 -0.156717D+01 -0.614983D+00 -0.394005D+00
               211           212           213           214           215 
      1  -0.162022D+01  0.142307D+01  0.277486D-01  0.548180D+00  0.398211D+01
      2  -0.341862D-01  0.311742D+01  0.452573D+01 -0.360165D+01  0.392545D+01
      3   0.322457D+01 -0.206497D+01 -0.301572D+01 -0.608576D+00 -0.326270D+01
               216           217           218           219           220 
      1  -0.142546D+00 -0.209298D+00  0.247854D+01  0.517506D+00 -0.104636D+01
      2   0.126436D+02 -0.116868D+01 -0.262168D+01 -0.313540D+01 -0.227620D+00
      3  -0.462006D+01  0.222943D+01  0.428296D+01  0.142720D+01  0.105387D+01
               221           222           223           224           225 
      1   0.124487D+02  0.175121D+01  0.184043D+01  0.913012D+00  0.648955D+00
      2  -0.745083D+01 -0.502118D+01 -0.268457D+00 -0.250111D+01 -0.355530D+01
      3   0.254319D+02  0.621965D+01  0.182791D+01  0.150796D+01  0.262162D+01
               226           227           228           229           230 
      1  -0.622946D+00  0.253299D+01 -0.382448D+01 -0.293922D+00 -0.322481D+01
      2  -0.643142D+01  0.364949D+01 -0.120970D+02  0.262159D+01 -0.788418D+01
      3  -0.255363D+01  0.252956D+01 -0.149506D+01  0.132271D+01 -0.323194D+01
               231           232           233           234           235 
      1   0.440980D+01 -0.211286D+01  0.404033D+01 -0.590691D+01 -0.130877D+01
      2   0.105117D+02 -0.636559D+01  0.613799D+01 -0.201541D+02  0.185093D+01
      3   0.598612D+01 -0.955070D+00  0.408123D+01 -0.467448D+01 -0.394589D+01
               236           237           238           239           240 
      1  -0.191838D+01  0.717631D+00 -0.643732D+00  0.165871D+00 -0.111729D+00
      2   0.303647D+00  0.564020D+01 -0.341185D+00 -0.113668D+01  0.186725D+01
      3  -0.591952D+01  0.114881D+01 -0.228865D+01  0.456239D+00  0.152292D+01
               241           242           243 
      1   0.602679D+00  0.137140D+01 -0.767515D+00
      2  -0.255752D+00  0.101978D+01 -0.215417D+01
      3   0.148880D+01  0.143105D+01 -0.148512D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.101092D+02  0.547046D+01 -0.670302D+01  0.117782D+01  0.723652D+01
      2   0.133931D+01 -0.194046D+02 -0.536723D+01 -0.135216D+02 -0.179225D+02
      3  -0.114485D+02  0.139341D+02  0.120702D+02  0.123438D+02  0.106860D+02
      4   0.117922D+02 -0.506982D+01  0.227275D+02 -0.206818D+01  0.680684D+01
      5  -0.180002D+02  0.185325D+02 -0.140292D+02  0.176728D+02  0.410755D+01
      6   0.140689D+02 -0.126499D+02  0.122341D+02 -0.828040D+01 -0.350940D+01
                 6             7             8             9            10 
      1   0.204683D+02 -0.665799D+01  0.206417D+02 -0.149215D+01 -0.691587D+01
      2  -0.132750D+02 -0.707252D+01 -0.165512D+02  0.710738D+01  0.106866D+02
      3  -0.719328D+01  0.137305D+02 -0.409056D+01 -0.561523D+01 -0.377070D+01
      4  -0.633902D+01  0.233783D+02 -0.878879D+01  0.438255D+01 -0.180348D+02
      5   0.634199D+01 -0.135699D+02  0.969520D+01 -0.843611D+01  0.102349D+02
      6   0.446773D+01  0.105425D+02  0.313840D+01  0.141876D+01 -0.135475D+02
                11            12            13            14            15 
      1  -0.224796D+01  0.770916D+01 -0.627109D+01 -0.118096D+02 -0.205114D+02
      2   0.488351D+01  0.529265D+00  0.430150D+01  0.145240D+02  0.720938D+01
      3  -0.263555D+01 -0.823842D+01  0.196959D+01 -0.271432D+01  0.133020D+02
      4   0.102908D+01 -0.207343D+02  0.500996D+01 -0.270440D+02 -0.649547D+01
      5  -0.169439D+02 -0.297113D+01 -0.188063D+02 -0.165996D+02  0.101263D+01
      6   0.899986D+01 -0.436080D+01 -0.287492D+01 -0.225504D+01 -0.646817D+01
                16            17            18            19            20 
      1   0.463803D+01 -0.196011D+02 -0.394714D+01  0.534638D+02  0.114103D+02
      2   0.877080D+01  0.103028D+02 -0.298490D+01 -0.488406D+02 -0.156147D+02
      3  -0.134088D+02  0.929832D+01  0.693204D+01 -0.462328D+01  0.420441D+01
      4  -0.322578D+02 -0.372332D+00 -0.599928D+00  0.104612D+02 -0.109244D+02
      5  -0.580211D+01  0.889667D+00  0.203459D+01  0.176851D+02  0.571290D+01
      6  -0.537520D+01 -0.321304D+01  0.113557D+01  0.137157D+02 -0.551434D+00
                21            22            23            24            25 
      1   0.356535D+01  0.214742D+02  0.818251D+01  0.716510D+01  0.198847D+01
      2  -0.314044D+01 -0.203858D+02 -0.130788D+02  0.292107D+01 -0.698976D+01
      3  -0.424913D+00 -0.108843D+01  0.489631D+01 -0.100862D+02  0.500129D+01
      4   0.643074D+01 -0.342438D+02 -0.483577D+01 -0.299898D+01  0.164611D+02
      5   0.456096D+01  0.603054D+01  0.570781D+01  0.440798D+01  0.447260D+01
      6   0.336187D+01  0.867417D+01  0.736721D+01  0.735944D+00  0.391918D+01
                26            27            28            29            30 
      1   0.972974D+01  0.149499D+02 -0.133188D+03 -0.130383D+02 -0.425301D+01
      2  -0.184863D+01  0.635722D+01  0.907103D+02  0.880997D+01  0.470804D+01
      3  -0.788111D+01 -0.213071D+02  0.424779D+02  0.422838D+01 -0.455031D+00
      4  -0.557730D+01  0.938027D+01 -0.143815D+02 -0.844463D+01 -0.459470D+00
      5   0.587192D+01  0.605353D+01 -0.364685D+02 -0.252475D+01 -0.124766D+02
      6  -0.625442D+00 -0.203758D+01 -0.194287D+02 -0.514497D+01  0.897505D-01
                31            32            33            34            35 
      1  -0.381721D+02 -0.263445D+02  0.351027D+01 -0.311944D+02 -0.144956D+00
      2   0.276968D+02  0.229812D+02 -0.318666D+01  0.183848D+02 -0.217451D+01
      3   0.104753D+02  0.336336D+01 -0.323615D+00  0.128096D+02  0.231946D+01
      4  -0.109844D+02 -0.102029D+02  0.129809D+01 -0.654469D+01  0.240579D+01
      5  -0.906967D+01 -0.479932D+01  0.154333D+00 -0.112525D+02  0.159029D+01
      6  -0.649119D+01 -0.869697D+01  0.394511D+01 -0.173820D+01  0.157575D+01
                36            37            38            39            40 
      1  -0.114511D+02  0.180551D+03  0.288491D+02  0.180945D+02  0.331458D+02
      2   0.158424D+01 -0.110987D+03 -0.178713D+02 -0.116952D+02 -0.171722D+02
      3   0.986683D+01 -0.695638D+02 -0.109777D+02 -0.639928D+01 -0.159736D+02
      4   0.752180D+00  0.329061D+02  0.161515D+02  0.542577D+00  0.325123D+02
      5   0.198061D+01  0.558960D+02  0.463421D+01  0.125167D+02  0.420356D+01
      6  -0.467986D+01  0.204613D+02  0.482782D+01  0.605928D-01  0.969817D+01
                41            42            43            44            45 
      1   0.610612D+01  0.909411D+01  0.109793D+02  0.908928D+01  0.135752D+02
      2   0.118260D+01  0.235353D+01 -0.126547D+02 -0.295018D+01 -0.182278D+01
      3  -0.728872D+01 -0.114476D+02  0.167544D+01 -0.613910D+01 -0.117525D+02
      4   0.733854D+01  0.287080D+01 -0.747859D+01 -0.411428D+01 -0.946470D+01
      5   0.286286D+01 -0.118884D+02  0.155788D+02 -0.841757D+01 -0.126640D+02
      6   0.110349D+01  0.363224D+01  0.412600D+00  0.947624D+00 -0.939260D+01
                46            47            48            49            50 
      1  -0.174524D+03 -0.313861D+02 -0.353667D+02 -0.588349D+02 -0.169204D+02
      2   0.967147D+02  0.143380D+02  0.193475D+02  0.312407D+02  0.117263D+02
      3   0.778091D+02  0.170480D+02  0.160192D+02  0.275942D+02  0.519411D+01
      4  -0.542584D+02 -0.278881D+02 -0.106528D+02 -0.977413D+01 -0.996099D+01
      5  -0.747950D+02 -0.146646D+02 -0.287440D+02 -0.276981D+02 -0.268334D+01
      6  -0.198707D+02 -0.321577D+01 -0.535910D+01 -0.477423D+00 -0.578204D+01
                51            52            53            54            55 
      1  -0.113776D+02 -0.536733D+02 -0.130389D+02 -0.166522D+02  0.197468D+03
      2   0.912487D+01  0.214020D+02  0.128138D+01  0.131927D+02 -0.104375D+03
      3   0.225277D+01  0.322714D+02  0.117575D+02  0.345950D+01 -0.930928D+02
      4  -0.112752D+01 -0.224753D+02 -0.552844D+00  0.501576D+01  0.488240D+02
      5   0.330005D+01 -0.223591D+02  0.554036D+01  0.161110D+02  0.714293D+02
      6   0.197528D+01  0.233159D+01 -0.417835D+01 -0.385526D+01  0.117802D+02
                56            57            58            59            60 
      1   0.319480D+02  0.367657D+02  0.640437D+02  0.296393D+02  0.510595D+01
      2  -0.123362D+02 -0.239263D+02 -0.288755D+02 -0.687292D+01 -0.936994D+00
      3  -0.196118D+02 -0.128394D+02 -0.351682D+02 -0.227664D+02 -0.416895D+01
      4   0.350043D+02  0.100543D+02  0.561535D+02  0.350031D+02  0.169097D+02
      5   0.123146D+02  0.400246D+02  0.207802D+02  0.188191D+02  0.968717D+01
      6   0.652315D+01  0.466721D+01  0.116912D+02  0.877222D+01  0.979368D+01
                61            62            63            64            65 
      1   0.968597D+02  0.125116D+02  0.274418D+02 -0.309538D+02  0.158674D+02
      2  -0.590362D+02 -0.529190D+01 -0.248535D+02  0.957063D+01 -0.527251D+01
      3  -0.378234D+02 -0.721967D+01 -0.258825D+01  0.213832D+02 -0.105949D+02
      4   0.241632D+02  0.145182D+02  0.112688D+02  0.198105D+02 -0.129969D+01
      5   0.671667D+02  0.135341D+02  0.408410D+02 -0.183658D+02  0.243847D+02
      6   0.116052D+02  0.102929D+02  0.518414D+01  0.106003D+02 -0.112337D+02
                66            67            68            69            70 
      1  -0.149071D+02  0.932252D+01  0.100021D+02  0.336921D+02 -0.249533D+02
      2  -0.113032D+01  0.164733D+01 -0.676615D+01 -0.256664D+02  0.832255D+00
      3   0.160374D+02 -0.109698D+02 -0.323595D+01 -0.802571D+01  0.241210D+02
      4   0.293210D+02 -0.753288D+01  0.115562D+02  0.113593D+02  0.365403D+02
      5   0.583900D-01  0.246452D+02  0.166310D+02 -0.125405D+02 -0.321022D+01
      6  -0.465844D+01 -0.699379D+01 -0.123473D+02 -0.659216D+01 -0.292006D+01
                71            72            73            74            75 
      1   0.350290D+02 -0.533613D+01 -0.485350D+02 -0.175782D+02 -0.137194D+02
      2  -0.261278D+02  0.610315D+01  0.203637D+02  0.793158D+01 -0.240448D+01
      3  -0.890120D+01 -0.767019D+00  0.281712D+02  0.964664D+01  0.161238D+02
      4   0.739371D+01 -0.444255D+01 -0.242286D+02 -0.275600D+00 -0.375432D+01
      5  -0.888195D+01  0.106398D+02 -0.167673D+02 -0.428202D+01  0.953812D+01
      6  -0.704947D+01 -0.790625D-01 -0.381326D+01 -0.304314D+01  0.793824D+01
                76            77            78            79            80 
      1  -0.149917D+02  0.814720D+01 -0.280377D+01 -0.433495D+01 -0.131233D+01
      2   0.111252D+02 -0.147015D+01  0.105911D+02 -0.504853D+01  0.735814D+01
      3   0.386651D+01 -0.667705D+01 -0.778736D+01  0.938349D+01 -0.604580D+01
      4   0.883932D+01  0.288094D+02  0.108744D+02 -0.514003D+00  0.268540D+01
      5  -0.554085D+01  0.179309D+02 -0.811207D+01  0.120450D+02 -0.890565D+01
      6   0.422521D+01  0.979926D+01 -0.137998D+01  0.622025D+01 -0.369703D+01
                81            82            83            84            85 
      1   0.223621D+02 -0.114740D+02 -0.132681D+02 -0.834120D+01 -0.163757D+02
      2  -0.456897D+01  0.170241D+02  0.300870D+02  0.103669D+02  0.281083D+02
      3  -0.177931D+02 -0.555010D+01 -0.168189D+02 -0.202567D+01 -0.117325D+02
      4  -0.477270D+01  0.665493D+01  0.956345D+01  0.958654D+01  0.223411D+02
      5  -0.847359D+01  0.719133D+00  0.936978D+01 -0.171834D+02  0.732983D+01
      6  -0.100890D+02  0.502723D+00  0.878032D+01 -0.154733D+02  0.153403D+01
                86            87            88            89            90 
      1   0.116970D+02  0.682308D+01 -0.278447D+02  0.662235D+01 -0.113282D+02
      2  -0.127622D+02 -0.591530D+01  0.274000D+02 -0.451209D+01  0.814066D+01
      3   0.106515D+01 -0.907780D+00  0.444718D+00 -0.211027D+01  0.318752D+01
      4   0.108718D+02  0.579400D+01  0.174498D+02  0.124698D+02 -0.107509D+02
      5  -0.234325D+01 -0.690374D+00 -0.254149D+02 -0.690126D+01  0.595901D+01
      6  -0.478509D+01 -0.151853D+01 -0.203684D+02 -0.410497D+01  0.662458D+01
                91            92            93            94            95 
      1  -0.600355D+02 -0.344390D+01  0.340578D+02 -0.114439D+02  0.237175D+02
      2   0.366186D+02 -0.380871D+01 -0.991508D+01  0.414585D+01 -0.189468D+02
      3   0.234169D+02  0.725261D+01 -0.241427D+02  0.729810D+01 -0.477061D+01
      4  -0.250163D+01  0.156691D+02  0.140132D+01  0.907098D+01  0.238363D+02
      5   0.306317D+02  0.310551D+01  0.112904D+02  0.635596D+01  0.426560D+01
      6   0.202282D+01 -0.724395D+01  0.143319D+01 -0.399392D+01 -0.107328D+02
                96            97            98            99           100 
      1  -0.238805D+01  0.190822D+02 -0.442051D+01  0.158331D+02  0.825914D+02
      2  -0.108353D+02 -0.378184D+01 -0.382120D+01 -0.863401D+01 -0.397188D+02
      3   0.132233D+02 -0.153004D+02  0.824171D+01 -0.719909D+01 -0.428726D+02
      4   0.706248D+01  0.318553D+01  0.155371D+01 -0.131673D+02  0.366286D+02
      5  -0.125616D+02  0.144762D+02 -0.115070D+02 -0.122505D+02  0.255890D+02
      6  -0.413927D+01 -0.989037D+00  0.172668D+01  0.112844D+02  0.796004D+01
               101           102           103           104           105 
      1   0.159038D+02  0.135423D+02  0.713114D+01  0.765875D+01  0.995720D+00
      2  -0.439142D+01 -0.803488D+01 -0.140752D+00  0.175452D+00 -0.112071D+01
      3  -0.115124D+02 -0.550747D+01 -0.699039D+01 -0.783420D+01  0.124991D+00
      4   0.203538D+02  0.801196D+01  0.166161D+02  0.776482D+01  0.271032D+01
      5   0.680839D+01  0.143029D+02  0.328499D+01  0.210646D+01  0.236128D+01
      6   0.453884D+01  0.431921D+01  0.321665D+01  0.599202D+00  0.280484D+01
               106           107           108           109           110 
      1   0.370605D+01  0.963510D+00  0.533406D+01  0.310060D+00  0.588422D+01
      2  -0.334427D+01 -0.238623D+01 -0.479583D+01 -0.223758D+01 -0.338166D+01
      3  -0.361782D+00  0.142272D+01 -0.538226D+00  0.192752D+01 -0.250256D+01
      4   0.265866D+01 -0.933327D-01  0.541957D+01  0.226000D+01 -0.170657D+01
      5   0.119933D+02  0.441442D+01  0.699915D+01  0.307449D+01  0.887026D-01
      6   0.342595D+01  0.266888D+01  0.352439D+01  0.373119D+01 -0.333314D+01
               111           112           113           114           115 
      1   0.107587D+02  0.264858D+01 -0.761115D+01 -0.479544D+01  0.768094D+01
      2  -0.124905D+00 -0.189084D+01  0.334472D+01  0.195388D+01 -0.358160D+01
      3  -0.106338D+02 -0.757746D+00  0.426643D+01  0.284156D+01 -0.409934D+01
      4   0.124673D+01  0.169769D+01  0.172837D+01  0.379846D+01  0.365926D+01
      5  -0.361779D+01  0.164584D+01  0.260653D+01  0.560160D+01  0.477970D+01
      6  -0.606452D+01 -0.765721D+00  0.608895D+01  0.106972D+02  0.706189D+00
               116           117           118           119           120 
      1  -0.764371D+01 -0.238804D+02  0.975378D-01 -0.131577D+00 -0.191794D+01
      2   0.126214D+01 -0.873906D+01 -0.385575D+01 -0.203676D+00 -0.895980D-01
      3   0.638157D+01  0.326195D+02  0.375821D+01  0.335253D+00  0.200754D+01
      4   0.836247D+01  0.806021D+01 -0.129214D+01  0.271317D+01  0.411088D+00
      5   0.936505D+01  0.291539D+02 -0.618614D+00  0.139275D+01  0.650580D+01
      6   0.114122D+02  0.223488D+02  0.134884D+01  0.212302D+00 -0.388763D-01
               121           122           123           124           125 
      1   0.140203D+01 -0.667117D+01 -0.534537D+01 -0.124071D+01 -0.273654D+01
      2  -0.824979D+00  0.184932D+01 -0.219815D+01  0.157388D+01 -0.254485D+01
      3  -0.577049D+00  0.482185D+01  0.754351D+01 -0.333169D+00  0.528140D+01
      4   0.203989D+01 -0.259701D+01 -0.226237D+01 -0.873981D-01 -0.277148D+01
      5   0.204007D+01 -0.241297D+01 -0.332385D+01  0.539690D+01 -0.261298D+01
      6  -0.113706D+00  0.217821D+01  0.686264D+01 -0.821077D+00  0.556179D+01
               126           127           128           129           130 
      1  -0.244387D+02 -0.730279D+01  0.195261D+02  0.794112D+00  0.114413D+02
      2  -0.126232D+02  0.973346D+01 -0.278369D+02 -0.149795D+01 -0.145229D+02
      3   0.370619D+02 -0.243067D+01  0.831083D+01  0.703839D+00  0.308162D+01
      4  -0.432980D+01 -0.478685D+01  0.236886D+01 -0.553678D+00  0.598475D+01
      5  -0.122590D+02  0.575704D+00 -0.794887D+00  0.154079D+01 -0.637551D+00
      6   0.210414D+01  0.354022D+00  0.119918D+00 -0.196946D+01  0.393157D+00
               131           132           133           134           135 
      1  -0.357282D+02 -0.456797D+00  0.395404D+01 -0.615988D+01 -0.439656D+01
      2   0.551914D+02  0.160751D+01 -0.367710D+01  0.952015D+01  0.553303D+01
      3  -0.194631D+02 -0.115072D+01 -0.276932D+00 -0.336027D+01 -0.113648D+01
      4   0.829495D+01 -0.534381D+00  0.135589D+00  0.143746D+01  0.213359D+01
      5   0.188042D+00  0.231318D+01  0.348242D+01  0.272937D+01  0.441340D-01
      6  -0.740651D+00  0.721816D+01  0.847090D+00  0.882865D+01  0.148714D+01
               136           137           138           139           140 
      1   0.112393D+02  0.145847D+01 -0.242388D+01  0.359772D+01 -0.528239D+01
      2  -0.487860D+01  0.167985D+01  0.783953D+00 -0.918566D+00  0.925260D+01
      3  -0.636067D+01 -0.313831D+01  0.163993D+01 -0.267916D+01 -0.397022D+01
      4   0.174525D+02  0.139010D+02 -0.116898D+02  0.103164D+02  0.114310D+02
      5  -0.175952D+02 -0.100491D+02  0.178483D+02 -0.566684D+01 -0.891715D+01
      6  -0.108090D+02 -0.905233D+01  0.121637D+02 -0.651165D+01 -0.103544D+02
               141           142           143           144           145 
      1   0.265671D+01  0.124289D+01  0.676193D+01 -0.603414D+01  0.144969D+02
      2  -0.430420D+01 -0.169882D+01 -0.738209D+01 -0.229781D+01 -0.100842D+02
      3   0.164749D+01  0.455931D+00  0.620154D+00  0.833196D+01 -0.441268D+01
      4  -0.915189D+01 -0.175931D+02 -0.156015D+02  0.156993D+02 -0.250255D+02
      5   0.778434D+01  0.215554D+02  0.144249D+02 -0.256469D+02  0.270925D+02
      6   0.975668D+01  0.163164D+02  0.167889D+02 -0.232200D+02 -0.138668D+02
               146           147           148           149           150 
      1  -0.131879D+01  0.223144D+01 -0.102638D+01 -0.333535D+01  0.158596D+01
      2  -0.854077D+00 -0.602544D+01 -0.680414D+00  0.708127D+01 -0.135773D+01
      3   0.217287D+01  0.379400D+01  0.170680D+01 -0.374592D+01 -0.228224D+00
      4   0.188896D+02 -0.168636D+02  0.133793D+02 -0.140001D+02  0.103600D+02
      5  -0.144676D+02  0.239001D+02 -0.923979D+01  0.926154D+01 -0.843420D+01
      6   0.130030D+02 -0.145176D+02  0.910655D+01 -0.107613D+02  0.101060D+02
               151           152           153           154           155 
      1   0.397074D+01  0.181690D+01 -0.320413D+01 -0.642367D+01 -0.111057D+02
      2  -0.643613D+01  0.470468D+00 -0.783305D+01  0.789922D+01  0.169344D+02
      3   0.246540D+01 -0.228737D+01  0.110372D+02 -0.147555D+01 -0.582869D+01
      4  -0.139554D+02  0.104558D+02 -0.136591D+02  0.193067D+01  0.321687D+01
      5   0.202694D+02 -0.117982D+02  0.225877D+02 -0.106600D+01 -0.458676D+01
      6  -0.113769D+02  0.113315D+02 -0.162079D+02 -0.155979D+01 -0.166268D+01
               156           157           158           159           160 
      1   0.840750D+00 -0.675484D+01 -0.254640D+02 -0.157719D+01 -0.219859D+01
      2   0.233359D+01  0.103864D+02  0.419447D+02  0.562158D+01  0.370665D+01
      3  -0.317434D+01 -0.363156D+01 -0.164807D+02 -0.404439D+01 -0.150806D+01
      4  -0.127740D+01  0.449640D+01 -0.920386D+01  0.877474D+00  0.960421D-01
      5   0.971256D+00 -0.462239D+01 -0.495814D+01 -0.378276D+01  0.670085D+00
      6   0.172025D+01 -0.306992D+00 -0.610077D+01  0.596386D+01  0.309534D+00
               161           162           163           164           165 
      1  -0.937358D+01 -0.332123D+01 -0.707783D+01 -0.242737D+01  0.110754D+02
      2   0.150890D+02  0.482669D+01 -0.455007D+01  0.597776D+01  0.413236D+01
      3  -0.571544D+01 -0.150546D+01  0.116279D+02 -0.355040D+01 -0.152078D+02
      4  -0.356883D+01 -0.100795D+01  0.646664D+01 -0.122997D+01 -0.577711D+01
      5  -0.350074D+01 -0.217758D+01 -0.411012D+01 -0.750687D+00  0.302785D+01
      6   0.384483D+01  0.375689D+01 -0.223120D+01 -0.238203D+01  0.395615D+01
               166           167           168           169           170 
      1   0.176972D+01 -0.277616D+01 -0.678687D+01  0.899847D+01 -0.221510D+01
      2   0.366786D+01 -0.122303D+00 -0.200317D+01  0.405868D+01 -0.180581D+01
      3  -0.543758D+01  0.289847D+01  0.879004D+01 -0.130572D+02  0.402091D+01
      4  -0.261055D+01  0.289298D+01  0.176439D+01 -0.699333D+01  0.241944D+01
      5   0.571823D-01 -0.102017D+01  0.214778D+01  0.534828D+01 -0.155618D+01
      6  -0.198563D+01  0.305393D+01  0.957032D+00  0.149426D+01  0.369902D+01
               171           172           173           174           175 
      1  -0.153796D+02 -0.323884D+01 -0.126150D+02 -0.538689D+01 -0.907007D+01
      2  -0.880843D+01  0.323971D+01  0.102451D+02  0.295838D+01  0.357958D+01
      3   0.241880D+02 -0.870925D-03  0.236993D+01  0.242851D+01  0.549049D+01
      4   0.439792D+01 -0.124228D+01 -0.419551D+01 -0.445579D+01  0.808014D+01
      5   0.221272D+01  0.207371D+01 -0.372737D+01 -0.291209D+01  0.225600D+01
      6  -0.632169D+01  0.164759D+01  0.680833D+01  0.539849D+01 -0.662219D+00
               176           177           178           179           180 
      1  -0.224695D+02 -0.137134D+02 -0.201590D+01 -0.144244D+02 -0.104897D+02
      2   0.264974D+02  0.102774D+02  0.191990D+01  0.100142D+02  0.341784D+01
      3  -0.402792D+01  0.343598D+01  0.959948D-01  0.441027D+01  0.707187D+01
      4  -0.292331D+02 -0.139425D+02  0.182017D-01 -0.131982D+02 -0.954694D+01
      5  -0.140761D+02 -0.106132D+02  0.452422D+01 -0.960337D+01 -0.133850D+02
      6   0.209888D+02  0.150020D+02 -0.116399D+00  0.147811D+02  0.132464D+02
               181           182           183           184           185 
      1   0.718023D+02 -0.189974D+02  0.136712D+02 -0.165831D+02  0.913649D+01
      2  -0.290080D+02  0.358324D+01 -0.387651D+01  0.138119D+01  0.123788D+01
      3  -0.427943D+02  0.154141D+02 -0.979464D+01  0.152019D+02 -0.103744D+02
      4  -0.381428D+02  0.204456D+02 -0.879106D+01  0.231474D+02 -0.174617D+02
      5   0.827518D+01 -0.421577D+01  0.123186D+02 -0.404500D+01  0.121803D+01
      6  -0.357251D+01  0.148267D+01 -0.358613D+01  0.123650D+01  0.237403D+00
               186           187           188           189           190 
      1  -0.557327D+01  0.314315D+02 -0.102733D+02  0.114229D+02  0.188628D+02
      2   0.168877D+01 -0.107184D+02  0.229128D+01 -0.517207D+01 -0.132712D+02
      3   0.388450D+01 -0.207130D+02  0.798203D+01 -0.625087D+01 -0.559157D+01
      4   0.389247D+01 -0.216757D+02  0.120670D+02 -0.733138D+01  0.217350D+01
      5  -0.295798D+01  0.133012D+02 -0.430090D+01  0.116309D+02 -0.141237D+02
      6   0.366227D+01 -0.458002D+01  0.364062D+01 -0.488232D+01 -0.141164D+01
               191           192           193           194           195 
      1   0.462125D+01 -0.927603D+01  0.140346D+02  0.313583D+01 -0.951464D+01
      2  -0.471426D+01  0.101532D+02 -0.113647D+02 -0.493595D+01  0.126766D+02
      3   0.930084D-01 -0.877141D+00 -0.266994D+01  0.180013D+01 -0.316200D+01
      4   0.551122D+01 -0.590258D+01  0.586165D+01  0.134619D+02 -0.945749D+01
      5  -0.834167D+01  0.149882D+02 -0.153593D+02 -0.114252D+02  0.182464D+02
      6  -0.188316D+00  0.222941D+00 -0.298286D+00 -0.357865D+01  0.301590D+01
               196           197           198           199           200 
      1  -0.107875D+02 -0.639005D+01  0.792673D+01 -0.188375D+00 -0.182026D+01
      2   0.136008D+02  0.976203D+01 -0.186970D+02  0.155150D+01  0.156474D+01
      3  -0.281323D+01 -0.337198D+01  0.107702D+02 -0.136312D+01  0.255515D+00
      4  -0.576782D+01 -0.100704D+02  0.727112D+01 -0.103680D+01  0.147185D+01
      5   0.216617D+02  0.108954D+02 -0.321397D+02 -0.340452D+01  0.105034D+01
      6  -0.516504D+00  0.482509D+01  0.683691D+00  0.703729D+00 -0.531621D-01
               201           202           203           204           205 
      1  -0.200699D+01 -0.222048D+01 -0.563639D+00 -0.459652D+01 -0.310284D+01
      2   0.170492D+01 -0.155469D+01  0.787858D+00  0.252449D+01  0.258654D+01
      3   0.302075D+00  0.377518D+01 -0.224220D+00  0.207203D+01  0.516301D+00
      4   0.188533D+01  0.708571D+00 -0.848308D+00 -0.220715D+01  0.237451D+01
      5   0.399316D+01  0.468068D+00 -0.606940D+00 -0.203257D+01  0.336532D+01
      6  -0.288858D+00 -0.607349D+00  0.344821D+01  0.317240D+01  0.136072D+00
               206           207           208           209           210 
      1  -0.518362D+01 -0.801597D+01 -0.818436D+00  0.122719D+01  0.293662D+01
      2   0.394356D+01  0.159068D+01 -0.180740D+01 -0.629923D+00 -0.924251D+00
      3   0.124006D+01  0.642530D+01  0.262583D+01 -0.597264D+00 -0.201237D+01
      4  -0.216989D+01 -0.396387D+01  0.150987D+01  0.183938D+01  0.191465D+01
      5  -0.324399D+01 -0.687103D+01  0.306802D+01  0.219589D+01  0.634747D+01
      6   0.418010D+01  0.655229D+01  0.207267D+01 -0.817278D-01  0.541619D+00
               211           212           213           214           215 
      1   0.228367D+01 -0.685046D+01 -0.834829D+01  0.334346D+01 -0.780424D+01
      2  -0.316924D+01  0.167632D+01 -0.154217D+00 -0.288756D+01  0.724711D+00
      3   0.885565D+00  0.517414D+01  0.850250D+01 -0.455895D+00  0.707953D+01
      4  -0.475133D+00  0.341158D+01  0.424355D+01  0.236840D+01  0.438946D+01
      5   0.299734D+01  0.509853D+01  0.867939D+01  0.469583D+01  0.693430D+01
      6  -0.496496D+00  0.555790D+01  0.705739D+01  0.157565D+01  0.787712D+01
               216           217           218           219           220 
      1  -0.245911D+02  0.344142D+01 -0.847708D+01 -0.600694D+01 -0.101767D+02
      2  -0.651420D+01 -0.105961D+00  0.670552D+01  0.160633D+01  0.498784D+01
      3   0.311053D+02 -0.333546D+01  0.177156D+01  0.440061D+01  0.518889D+01
      4   0.574350D+01 -0.301998D+01 -0.330293D+01 -0.146855D+01  0.700082D+01
      5   0.229037D+02 -0.973354D+00  0.182721D+00 -0.401461D+01  0.774654D+01
      6   0.976840D+01  0.192150D+01  0.379690D+01  0.177651D+01 -0.196079D+01
               221           222           223           224           225 
      1  -0.209510D+02 -0.387087D+01 -0.465997D+01 -0.307810D+01 -0.674772D+01
      2   0.282741D+02  0.269152D+01  0.246873D+01  0.109929D+00  0.236165D+01
      3  -0.732313D+01  0.117935D+01  0.219124D+01  0.296817D+01  0.438607D+01
      4  -0.436292D+02 -0.112025D+02 -0.110907D+01 -0.282116D+01 -0.418939D+01
      5  -0.863361D+01 -0.114683D+02  0.117273D+01 -0.399378D+01 -0.384912D+01
      6   0.201577D+02  0.100428D+02 -0.223398D+00  0.689745D+01  0.286320D+01
               226           227           228           229           230 
      1  -0.466360D+01  0.652352D+01 -0.162651D+02  0.773859D+01 -0.116307D+02
      2  -0.992566D+00 -0.113963D+01 -0.220878D+00 -0.371905D+01  0.402949D+01
      3   0.565616D+01 -0.538389D+01  0.164859D+02 -0.401954D+01  0.760116D+01
      4   0.406188D+01 -0.529617D+01  0.126542D+01 -0.133411D+01  0.481876D+01
      5  -0.511261D+00 -0.332897D+00 -0.935040D+01 -0.318789D+01 -0.667145D+01
      6  -0.282138D+01  0.439912D+01 -0.269163D+01  0.178660D+01 -0.574729D+01
               231           232           233           234           235 
      1   0.904371D+01 -0.164548D+02  0.744705D+01 -0.225068D+02  0.843561D+02
      2   0.339563D+01  0.604269D+01  0.166729D+01 -0.775875D+01 -0.474638D+02
      3  -0.124393D+02  0.104121D+02 -0.911433D+01  0.302656D+02 -0.368922D+02
      4  -0.846498D+01  0.321168D+01 -0.812210D+01  0.722461D+01 -0.743154D+01
      5   0.127856D+02  0.270040D+01  0.582446D+01 -0.231787D+02 -0.444963D+02
      6   0.917861D+01 -0.194286D+01  0.677425D+01 -0.656566D+01  0.408864D-01
               236           237           238           239           240 
      1  -0.767338D+00 -0.227366D+02  0.567642D+01  0.646519D+01 -0.139509D+01
      2  -0.314434D+00  0.163829D+02 -0.346082D+01 -0.231124D+01  0.214358D+01
      3   0.108177D+01  0.635376D+01 -0.221560D+01 -0.415395D+01 -0.748485D+00
      4   0.114302D+02  0.195173D+01  0.108546D+02 -0.145993D+01 -0.458206D+01
      5   0.279384D+00  0.242376D+02 -0.364039D+01 -0.565681D+01  0.358207D+01
      6  -0.365598D+01 -0.875241D+00 -0.369252D+01  0.409556D+00  0.272237D+01
               241           242           243 
      1  -0.121228D+02  0.273800D+00  0.925249D+01
      2   0.108137D+02  0.685769D+00 -0.922637D+01
      3   0.130910D+01 -0.959569D+00 -0.261123D-01
      4   0.751686D+00 -0.233585D+01  0.477233D+00
      5   0.180401D+02  0.106403D+01 -0.127712D+02
      6  -0.132457D+01  0.200093D+01 -0.281430D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:03:43 2021, MaxMem=  5368709120 cpu:           10108.2 elap:            1267.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.12639 -10.27429 -10.21395 -10.20910 -10.20205
 Alpha  occ. eigenvalues --  -10.19549 -10.19445 -10.19048 -10.18965 -10.18492
 Alpha  occ. eigenvalues --  -10.18285  -1.02931  -0.87204  -0.80138  -0.75190
 Alpha  occ. eigenvalues --   -0.73363  -0.69376  -0.67932  -0.62059  -0.60055
 Alpha  occ. eigenvalues --   -0.54552  -0.52118  -0.49460  -0.48339  -0.46707
 Alpha  occ. eigenvalues --   -0.45720  -0.44767  -0.44178  -0.42833  -0.41415
 Alpha  occ. eigenvalues --   -0.40346  -0.39913  -0.38986  -0.37629  -0.37088
 Alpha  occ. eigenvalues --   -0.36787  -0.35712  -0.33113  -0.31951  -0.31052
 Alpha  occ. eigenvalues --   -0.27219  -0.25417
 Alpha virt. eigenvalues --   -0.06246   0.00571   0.01983   0.03145   0.03269
 Alpha virt. eigenvalues --    0.04492   0.05448   0.05881   0.05994   0.06558
 Alpha virt. eigenvalues --    0.07442   0.08166   0.08380   0.09595   0.09956
 Alpha virt. eigenvalues --    0.10564   0.10778   0.11285   0.11712   0.12426
 Alpha virt. eigenvalues --    0.12971   0.13774   0.13853   0.14563   0.15189
 Alpha virt. eigenvalues --    0.16021   0.16871   0.17051   0.17533   0.18132
 Alpha virt. eigenvalues --    0.18640   0.19771   0.20312   0.21002   0.21200
 Alpha virt. eigenvalues --    0.21609   0.22553   0.22993   0.23520   0.24549
 Alpha virt. eigenvalues --    0.25191   0.25793   0.27282   0.27989   0.28219
 Alpha virt. eigenvalues --    0.28691   0.28981   0.29244   0.30055   0.30683
 Alpha virt. eigenvalues --    0.31024   0.31414   0.31873   0.32515   0.33012
 Alpha virt. eigenvalues --    0.33112   0.33392   0.33669   0.34373   0.34459
 Alpha virt. eigenvalues --    0.34822   0.35444   0.35896   0.36443   0.36599
 Alpha virt. eigenvalues --    0.37315   0.37551   0.37790   0.38432   0.38544
 Alpha virt. eigenvalues --    0.38809   0.38957   0.39623   0.40342   0.40500
 Alpha virt. eigenvalues --    0.40946   0.41500   0.41874   0.42236   0.42511
 Alpha virt. eigenvalues --    0.43521   0.44132   0.44307   0.45186   0.45487
 Alpha virt. eigenvalues --    0.45745   0.46015   0.46230   0.47044   0.47494
 Alpha virt. eigenvalues --    0.48059   0.48790   0.48893   0.49795   0.50403
 Alpha virt. eigenvalues --    0.50433   0.50693   0.51518   0.52909   0.53094
 Alpha virt. eigenvalues --    0.53340   0.53645   0.53756   0.54399   0.55151
 Alpha virt. eigenvalues --    0.55516   0.56003   0.56201   0.57331   0.57793
 Alpha virt. eigenvalues --    0.57915   0.58123   0.58906   0.59772   0.60284
 Alpha virt. eigenvalues --    0.60950   0.61732   0.62299   0.62769   0.64064
 Alpha virt. eigenvalues --    0.64285   0.65324   0.65865   0.66429   0.66757
 Alpha virt. eigenvalues --    0.67580   0.68068   0.68763   0.69187   0.70164
 Alpha virt. eigenvalues --    0.71056   0.72255   0.72808   0.73412   0.74141
 Alpha virt. eigenvalues --    0.76448   0.76620   0.77132   0.78107   0.79332
 Alpha virt. eigenvalues --    0.80044   0.81238   0.81788   0.82502   0.85410
 Alpha virt. eigenvalues --    0.87151   0.88058   0.91123   0.91762   0.92655
 Alpha virt. eigenvalues --    0.94882   0.95313   0.95587   0.96113   0.96985
 Alpha virt. eigenvalues --    0.97419   0.97660   0.99071   0.99632   1.00138
 Alpha virt. eigenvalues --    1.00586   1.02295   1.02596   1.03174   1.04267
 Alpha virt. eigenvalues --    1.05257   1.05689   1.06561   1.09382   1.10236
 Alpha virt. eigenvalues --    1.12649   1.13397   1.15625   1.16543   1.18680
 Alpha virt. eigenvalues --    1.20276   1.20958   1.22003   1.23110   1.25772
 Alpha virt. eigenvalues --    1.25930   1.27043   1.28451   1.29892   1.31242
 Alpha virt. eigenvalues --    1.32794   1.33583   1.35290   1.36027   1.36985
 Alpha virt. eigenvalues --    1.39058   1.40010   1.40447   1.44351   1.45634
 Alpha virt. eigenvalues --    1.46963   1.49139   1.50508   1.52814   1.53248
 Alpha virt. eigenvalues --    1.55577   1.57629   1.58951   1.59218   1.61446
 Alpha virt. eigenvalues --    1.63133   1.64903   1.65192   1.66375   1.68716
 Alpha virt. eigenvalues --    1.69905   1.71574   1.72276   1.74009   1.75943
 Alpha virt. eigenvalues --    1.76123   1.76943   1.78046   1.80979   1.83208
 Alpha virt. eigenvalues --    1.84273   1.84932   1.86183   1.86770   1.87925
 Alpha virt. eigenvalues --    1.89457   1.90433   1.92536   1.94055   1.96674
 Alpha virt. eigenvalues --    1.97783   1.98639   1.99644   2.00841   2.01945
 Alpha virt. eigenvalues --    2.02625   2.03803   2.04679   2.05720   2.07302
 Alpha virt. eigenvalues --    2.08808   2.09232   2.11183   2.12937   2.13445
 Alpha virt. eigenvalues --    2.14777   2.16568   2.17934   2.19959   2.20744
 Alpha virt. eigenvalues --    2.21668   2.22085   2.23365   2.26667   2.26750
 Alpha virt. eigenvalues --    2.27846   2.29276   2.30015   2.32596   2.35708
 Alpha virt. eigenvalues --    2.37564   2.38996   2.39774   2.41618   2.43518
 Alpha virt. eigenvalues --    2.46594   2.47191   2.49589   2.50673   2.53474
 Alpha virt. eigenvalues --    2.53843   2.55528   2.57477   2.58623   2.59252
 Alpha virt. eigenvalues --    2.63211   2.63786   2.66511   2.69872   2.70228
 Alpha virt. eigenvalues --    2.71943   2.74463   2.74907   2.75913   2.82321
 Alpha virt. eigenvalues --    2.86360   2.88940   2.91173   2.93722   2.96486
 Alpha virt. eigenvalues --    2.97648   2.99287   3.03867   3.04744   3.05500
 Alpha virt. eigenvalues --    3.08018   3.08406   3.11414   3.13363   3.13940
 Alpha virt. eigenvalues --    3.16297   3.16968   3.18307   3.20469   3.23246
 Alpha virt. eigenvalues --    3.31208   3.40107   3.48099   3.83807
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.137497  -1.609676  -0.096833  -0.037991  -0.035190   0.005773
     2  C   -1.609676  13.063404  -0.753812  -0.243148   0.230747   0.003216
     3  C   -0.096833  -0.753812   7.796110   0.128520  -0.581721   0.108699
     4  C   -0.037991  -0.243148   0.128520   8.502339  -0.950988   0.041720
     5  C   -0.035190   0.230747  -0.581721  -0.950988  10.406090  -0.804769
     6  C    0.005773   0.003216   0.108699   0.041720  -0.804769   6.092992
     7  O    0.000342  -0.002573   0.010063   0.109318  -0.183283   0.362355
     8  C   -0.281221  -0.489850   0.130648   0.022768  -0.008828   0.000382
     9  C   -0.033532  -0.537584   0.236785   0.141622  -0.020152  -0.000366
    10  C    0.035632   0.539187  -0.191043  -0.189987   0.095292  -0.000072
    11  C   -0.001623   0.000249   0.013346  -0.104965   0.076826   0.466336
    12  H    0.162546  -0.336740  -0.001897   0.021774  -0.001170  -0.000092
    13  H   -0.147361   0.095472   0.182072   0.011282  -0.005766  -0.000153
    14  H    0.207688  -0.795165  -0.893562  -0.427621  -0.307449   0.020612
    15  H    0.000462  -0.069733  -0.142426  -0.113776   0.014386  -0.001271
    16  H   -0.014939   0.127948   0.146665   0.041463  -0.005109   0.000125
    17  H   -0.226135   0.406763   0.015269  -0.003547   0.001751   0.000115
    18  H   -0.086430   0.258632   0.015498  -0.007061  -0.007363  -0.003521
    19  H    0.363715  -0.089200  -0.105830   0.027545   0.024526  -0.002082
    20  H    0.029670   0.121702  -0.004106   0.002612  -0.001331   0.000040
    21  H    0.046721   0.191812   0.026282   0.001389  -0.000658  -0.000021
    22  H   -0.004029   0.401975  -0.028683  -0.007047   0.001765   0.000077
    23  H    0.027223  -0.206074  -0.369190  -0.762435  -1.315916  -0.057964
    24  H   -0.013605   0.001194  -0.107655  -0.357565   0.071393  -0.343095
    25  H    0.000063  -0.000077   0.003315   0.005244  -0.072370   0.123186
    26  H    0.000676  -0.001168   0.004744   0.018746  -0.066661   0.118579
    27  H   -0.000041   0.000161  -0.001728   0.035245   0.057294   0.124202
               7          8          9         10         11         12
     1  C    0.000342  -0.281221  -0.033532   0.035632  -0.001623   0.162546
     2  C   -0.002573  -0.489850  -0.537584   0.539187   0.000249  -0.336740
     3  C    0.010063   0.130648   0.236785  -0.191043   0.013346  -0.001897
     4  C    0.109318   0.022768   0.141622  -0.189987  -0.104965   0.021774
     5  C   -0.183283  -0.008828  -0.020152   0.095292   0.076826  -0.001170
     6  C    0.362355   0.000382  -0.000366  -0.000072   0.466336  -0.000092
     7  O    8.140077   0.000138   0.000093  -0.001109  -0.011999   0.000010
     8  C    0.000138   5.030504  -0.013330  -0.057320   0.000055  -0.140262
     9  C    0.000093  -0.013330   5.203023  -0.164435   0.000216   0.104337
    10  C   -0.001109  -0.057320  -0.164435   5.001682  -0.000221   0.033367
    11  C   -0.011999   0.000055   0.000216  -0.000221   4.297778   0.000008
    12  H    0.000010  -0.140262   0.104337   0.033367   0.000008   2.285235
    13  H    0.000042   0.077843  -0.012564  -0.091229  -0.000135  -0.622166
    14  H    0.005859  -0.100307   0.126114  -0.188948  -0.002711   0.027094
    15  H    0.000062  -0.014765   0.042864   0.185177  -0.000355   0.147295
    16  H   -0.000048   0.024094  -0.053995  -0.024569   0.000058  -0.224798
    17  H   -0.000036   0.021681   0.040433  -0.013204   0.000191  -0.001271
    18  H    0.000200   0.011294  -0.000853  -0.007410   0.000650  -0.000438
    19  H    0.000265   0.016272  -0.050127   0.033059  -0.002357   0.008523
    20  H   -0.000008  -0.025670   0.006964   0.011473   0.000006   0.005635
    21  H    0.000003  -0.163172  -0.000776   0.002301  -0.000002   0.057627
    22  H   -0.000008   0.195514  -0.051532  -0.007740  -0.000004  -0.039329
    23  H    0.026772   0.006959  -0.027202  -0.106085  -0.124807   0.010513
    24  H   -0.053289   0.000625  -0.001282  -0.002273  -0.002647   0.000010
    25  H    0.008666   0.000023   0.000048  -0.000160   0.192179  -0.000005
    26  H    0.008169   0.000043  -0.000140  -0.000138   0.186472   0.000005
    27  H   -0.024239  -0.000004  -0.000009   0.000048   0.234142   0.000000
              13         14         15         16         17         18
     1  C   -0.147361   0.207688   0.000462  -0.014939  -0.226135  -0.086430
     2  C    0.095472  -0.795165  -0.069733   0.127948   0.406763   0.258632
     3  C    0.182072  -0.893562  -0.142426   0.146665   0.015269   0.015498
     4  C    0.011282  -0.427621  -0.113776   0.041463  -0.003547  -0.007061
     5  C   -0.005766  -0.307449   0.014386  -0.005109   0.001751  -0.007363
     6  C   -0.000153   0.020612  -0.001271   0.000125   0.000115  -0.003521
     7  O    0.000042   0.005859   0.000062  -0.000048  -0.000036   0.000200
     8  C    0.077843  -0.100307  -0.014765   0.024094   0.021681   0.011294
     9  C   -0.012564   0.126114   0.042864  -0.053995   0.040433  -0.000853
    10  C   -0.091229  -0.188948   0.185177  -0.024569  -0.013204  -0.007410
    11  C   -0.000135  -0.002711  -0.000355   0.000058   0.000191   0.000650
    12  H   -0.622166   0.027094   0.147295  -0.224798  -0.001271  -0.000438
    13  H    1.611552  -0.035453  -0.215118   0.122304  -0.011262  -0.002367
    14  H   -0.035453   3.766010   0.172742  -0.175839  -0.004584   0.007466
    15  H   -0.215118   0.172742   2.098734  -0.518180   0.000334   0.000562
    16  H    0.122304  -0.175839  -0.518180   1.554232  -0.000328  -0.000714
    17  H   -0.011262  -0.004584   0.000334  -0.000328   0.952355  -0.050474
    18  H   -0.002367   0.007466   0.000562  -0.000714  -0.050474   0.823132
    19  H    0.008700   0.006520   0.002262  -0.000697  -0.164428  -0.070082
    20  H   -0.002796   0.030904   0.001966   0.000400  -0.019151   0.013726
    21  H   -0.007680   0.003340   0.001877  -0.002955   0.001463  -0.012891
    22  H    0.000507  -0.066151  -0.000771   0.012826   0.000518  -0.004308
    23  H   -0.004428   0.207287   0.040122  -0.013778   0.006175   0.024116
    24  H    0.000345  -0.118662  -0.001734  -0.000058   0.000260   0.004134
    25  H    0.000134   0.000079  -0.000132   0.000026   0.000032   0.000024
    26  H    0.000189  -0.000024  -0.000262   0.000012   0.000076  -0.000580
    27  H    0.000008  -0.000096   0.000041  -0.000001  -0.000004  -0.000018
              19         20         21         22         23         24
     1  C    0.363715   0.029670   0.046721  -0.004029   0.027223  -0.013605
     2  C   -0.089200   0.121702   0.191812   0.401975  -0.206074   0.001194
     3  C   -0.105830  -0.004106   0.026282  -0.028683  -0.369190  -0.107655
     4  C    0.027545   0.002612   0.001389  -0.007047  -0.762435  -0.357565
     5  C    0.024526  -0.001331  -0.000658   0.001765  -1.315916   0.071393
     6  C   -0.002082   0.000040  -0.000021   0.000077  -0.057964  -0.343095
     7  O    0.000265  -0.000008   0.000003  -0.000008   0.026772  -0.053289
     8  C    0.016272  -0.025670  -0.163172   0.195514   0.006959   0.000625
     9  C   -0.050127   0.006964  -0.000776  -0.051532  -0.027202  -0.001282
    10  C    0.033059   0.011473   0.002301  -0.007740  -0.106085  -0.002273
    11  C   -0.002357   0.000006  -0.000002  -0.000004  -0.124807  -0.002647
    12  H    0.008523   0.005635   0.057627  -0.039329   0.010513   0.000010
    13  H    0.008700  -0.002796  -0.007680   0.000507  -0.004428   0.000345
    14  H    0.006520   0.030904   0.003340  -0.066151   0.207287  -0.118662
    15  H    0.002262   0.001966   0.001877  -0.000771   0.040122  -0.001734
    16  H   -0.000697   0.000400  -0.002955   0.012826  -0.013778  -0.000058
    17  H   -0.164428  -0.019151   0.001463   0.000518   0.006175   0.000260
    18  H   -0.070082   0.013726  -0.012891  -0.004308   0.024116   0.004134
    19  H    1.161591   0.004032   0.010714  -0.004833  -0.031875   0.000136
    20  H    0.004032   0.801398  -0.040228  -0.069448  -0.002122  -0.001008
    21  H    0.010714  -0.040228   0.905621  -0.065470  -0.000783  -0.000015
    22  H   -0.004833  -0.069448  -0.065470   0.867656   0.001051   0.000121
    23  H   -0.031875  -0.002122  -0.000783   0.001051   3.428802   0.185139
    24  H    0.000136  -0.001008  -0.000015   0.000121   0.185139   1.471985
    25  H   -0.000967   0.000000   0.000000   0.000000  -0.017591  -0.011114
    26  H   -0.000609   0.000005   0.000001   0.000000  -0.014214  -0.010189
    27  H    0.000116  -0.000000  -0.000000   0.000000   0.028218   0.011674
              25         26         27
     1  C    0.000063   0.000676  -0.000041
     2  C   -0.000077  -0.001168   0.000161
     3  C    0.003315   0.004744  -0.001728
     4  C    0.005244   0.018746   0.035245
     5  C   -0.072370  -0.066661   0.057294
     6  C    0.123186   0.118579   0.124202
     7  O    0.008666   0.008169  -0.024239
     8  C    0.000023   0.000043  -0.000004
     9  C    0.000048  -0.000140  -0.000009
    10  C   -0.000160  -0.000138   0.000048
    11  C    0.192179   0.186472   0.234142
    12  H   -0.000005   0.000005   0.000000
    13  H    0.000134   0.000189   0.000008
    14  H    0.000079  -0.000024  -0.000096
    15  H   -0.000132  -0.000262   0.000041
    16  H    0.000026   0.000012  -0.000001
    17  H    0.000032   0.000076  -0.000004
    18  H    0.000024  -0.000580  -0.000018
    19  H   -0.000967  -0.000609   0.000116
    20  H    0.000000   0.000005  -0.000000
    21  H    0.000000   0.000001  -0.000000
    22  H    0.000000   0.000000   0.000000
    23  H   -0.017591  -0.014214   0.028218
    24  H   -0.011114  -0.010189   0.011674
    25  H    0.617379   0.063232  -0.084692
    26  H    0.063232   0.611896  -0.079031
    27  H   -0.084692  -0.079031   1.148632
 Mulliken charges:
               1
     1  C    1.570598
     2  C   -4.307664
     3  C    0.460469
     4  C    0.094541
     5  C   -0.611347
     6  C   -0.255004
     7  O   -0.395842
     8  C    1.755885
     9  C    1.065381
    10  C    1.108725
    11  C    0.783312
    12  H   -0.495809
    13  H    0.048027
    14  H   -0.465140
    15  H   -0.630359
    16  H    0.005855
    17  H    0.047005
    18  H    0.095076
    19  H   -0.144887
    20  H    0.135336
    21  H    0.045500
    22  H   -0.132659
    23  H    0.062090
    24  H    0.277176
    25  H    0.173476
    26  H    0.160170
    27  H   -0.449915
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.567793
     2  C   -4.307664
     3  C   -0.004670
     4  C    0.156631
     5  C   -0.334170
     6  C   -0.255004
     7  O   -0.395842
     8  C    1.804063
     9  C    0.617600
    10  C    0.484220
    11  C    0.667044
 Electronic spatial extent (au):  <R**2>=           2455.8672
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.8545    Y=              1.2492    Z=              1.7171  Tot=              4.4007
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -84.5308   YY=            -70.2037   ZZ=            -69.2527
   XY=             -4.8364   XZ=             -7.9475   YZ=             -0.3071
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.8684   YY=              4.4587   ZZ=              5.4097
   XY=             -4.8364   XZ=             -7.9475   YZ=             -0.3071
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             68.6811  YYY=             -0.8056  ZZZ=             -2.3859  XYY=             -2.0827
  XXY=             19.2714  XXZ=             29.2297  XZZ=             -0.0744  YZZ=              0.2790
  YYZ=              0.1549  XYZ=              1.7312
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2796.2959 YYYY=           -467.0084 ZZZZ=           -406.3183 XXXY=            -72.9563
 XXXZ=           -112.2518 YYYX=              1.9366 YYYZ=              5.2539 ZZZX=             -0.4102
 ZZZY=              1.5574 XXYY=           -502.4146 XXZZ=           -497.0231 YYZZ=           -147.5802
 XXYZ=            -23.4087 YYXZ=             -2.3059 ZZXY=              1.1297
 N-N= 6.101488227447D+02 E-N=-2.298219709417D+03  KE= 4.602677989323D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:03:43 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.46430138D+00 4.66287825D-01 6.48282452D-01
 Polarizability= 1.60415177D+02 6.22841270D+00 1.04662517D+02
                 4.05450575D+00 4.09678593D+00 1.07452185D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.5236   -2.5246        3.7734    3.7749
 2      2.5236    2.5246       -2.1846   -2.1852      -32.5803  -32.5810
 3     -3.7734   -3.7749       31.2077   31.2078        2.1852    2.1852
 4      2.1846    2.1852        0.0000    0.0000       -3.7728   -3.7749
 5      1.3726    1.3732        3.7728    3.7749       -2.5249   -2.5246
 6     -2.1852   -2.1852        2.5249    2.5246       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        7.5738    7.5738       11.3248   11.3248
 2      6.5555    6.5555        0.0000    0.0000       11.3248   11.3248
 3      6.5555    6.5555        7.5738    7.5738        0.0000    0.0000
 4      7.5738    7.5738       -6.5555   -6.5555      -97.7431  -97.7431
 5    -11.3248  -11.3248       93.6234   93.6234        6.5555    6.5555
 6      4.1197    4.1197       11.3248   11.3248       -7.5738   -7.5738
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1769    0.0000       10.1320   10.0985      -14.9535  -15.0997
 2    -10.2448  -10.0985        8.7322    8.7407      130.4058  130.3241
 3     15.0188   15.0997     -124.9136 -124.8312       -8.8102   -8.7407
 4     -8.7985   -8.7407        0.0497    0.0000       15.0928   15.0997
 5     -5.4009   -5.4929      -15.1217  -15.0997        9.9849   10.0985
 6      8.7401    8.7407      -10.0905  -10.0985        0.0363    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1414    0.0000       28.8791   28.8070      -26.4736  -26.4415
 2    -28.8647  -28.8070      -28.7928  -28.8410        3.9333    3.7296
 3     26.3883   26.4415       59.2387   58.8992       28.9359   28.8410
 4     28.7051   28.8410        0.0175    0.0000       26.6104   26.4415
 5    -62.6050  -62.6288      -26.5068  -26.4415       28.8653   28.8070
 6    -28.8173  -28.8410      -28.8176  -28.8070       -0.0871    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     53.3202   53.1495       34.3881   34.3041      -37.6135  -37.3614
 2     76.8119   76.7726       51.4515   51.4030      -37.4113  -37.3614
 3     76.7955   76.7726       34.3886   34.3041      -20.9354  -20.9911
 4    -17.1778  -17.0989      -23.6885  -23.6231       21.0484   20.8712
 5     16.4465   16.3703       52.9787   52.7752       23.7817   23.6231
 6    -73.8153  -73.6464      -16.3240  -16.3703       17.3880   17.0989
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.8724   -3.3814   -0.0006   -0.0003    0.0004    5.3328
 Low frequencies ---   38.5934   61.4722   73.8002
 Diagonal vibrational polarizability:
       18.0980461      53.8424345      15.2395415
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.5739                61.4698                73.7944
 Red. masses --      4.1603                 2.9417                 3.0486
 Frc consts  --      0.0036                 0.0065                 0.0098
 IR Inten    --      3.3453                 0.4598                 0.9407
 RamAct Fr= 1--      2.4985                 0.6295                 0.7309
  Dep-P Fr= 1--      0.7372                 0.7495                 0.5410
  Dep-U Fr= 1--      0.8487                 0.8568                 0.7021
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0029
 Beta2  Fr= 1--      0.3534                 0.0899                 0.0855
 AlphaG Fr= 1--     -0.0014                 0.0000                 0.0086
 Gamma2 Fr= 1--     -0.1594                 0.1765                 0.3346
 Delta2 Fr= 1--      0.0850                 0.0493                 0.0915
 Raman1 Fr= 1--       9.994                  2.518                  2.924
 ROA1   Fr= 1--     -12.581                 18.520                 35.051
 CID1   Fr= 1--      -1.259                  7.355                 11.988
 Raman2 Fr= 1--       4.241                  1.079                  1.026
 ROA2   Fr= 1--      -4.505                  3.841                  7.299
 CID2   Fr= 1--      -1.062                  3.560                  7.112
 Raman3 Fr= 1--       8.482                  2.157                  2.053
 ROA3   Fr= 1--     -12.581                 18.520                 35.051
 CID3   Fr= 1--      -1.483                  8.584                 17.075
 RC180  Fr= 1--       0.697                  0.714                  0.404
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.05   0.11     0.08  -0.13  -0.08     0.18  -0.00   0.05
     2   6     0.05   0.01   0.03     0.02  -0.02  -0.00     0.07  -0.01  -0.01
     3   6    -0.01  -0.11   0.01     0.00  -0.09  -0.03    -0.03  -0.02   0.10
     4   6    -0.00  -0.13   0.03     0.01  -0.10  -0.01    -0.02  -0.07   0.12
     5   6    -0.03  -0.01  -0.01    -0.02  -0.06   0.00    -0.01  -0.03   0.07
     6   6    -0.04   0.04  -0.02    -0.01   0.04   0.02    -0.05   0.01  -0.03
     7   8    -0.09   0.28  -0.12    -0.04   0.03   0.06    -0.00  -0.02  -0.07
     8   6     0.06   0.01   0.05     0.15   0.14   0.03    -0.03  -0.01  -0.12
     9   6    -0.01   0.07  -0.07    -0.15   0.01   0.07     0.12  -0.01  -0.05
    10   6    -0.08  -0.05  -0.09    -0.07  -0.05  -0.02    -0.06   0.00   0.08
    11   6     0.02  -0.20   0.09     0.02   0.18  -0.03    -0.16   0.13  -0.10
    12   1    -0.02   0.13  -0.11    -0.17   0.10   0.21     0.12   0.01  -0.21
    13   1     0.00   0.11  -0.07    -0.29  -0.03   0.02     0.27  -0.04   0.02
    14   1    -0.02  -0.17   0.03     0.01  -0.11  -0.02    -0.06   0.01   0.09
    15   1    -0.13  -0.07  -0.13    -0.12  -0.06  -0.11    -0.08  -0.05   0.21
    16   1    -0.12  -0.06  -0.12     0.00  -0.07   0.03    -0.19   0.10   0.02
    17   1     0.17   0.14   0.11     0.08  -0.06  -0.04     0.25   0.02  -0.03
    18   1     0.17  -0.01   0.18     0.21  -0.16  -0.16     0.15  -0.02   0.11
    19   1     0.13   0.05   0.10    -0.03  -0.25  -0.11     0.25  -0.00   0.12
    20   1     0.10  -0.05   0.11     0.29   0.12  -0.04    -0.09  -0.00  -0.08
    21   1     0.10   0.10   0.05     0.16   0.22   0.06     0.03  -0.01  -0.22
    22   1     0.00  -0.02  -0.01     0.12   0.22   0.08    -0.12  -0.00  -0.16
    23   1     0.02  -0.21   0.07     0.02  -0.08  -0.02    -0.03  -0.10   0.14
    24   1    -0.06   0.10  -0.06    -0.05  -0.09   0.01     0.03   0.00   0.06
    25   1     0.12  -0.24   0.29     0.04   0.18  -0.15    -0.22   0.15  -0.19
    26   1    -0.02  -0.40  -0.02     0.02   0.24   0.01    -0.18   0.24  -0.00
    27   1     0.01  -0.15   0.07     0.02   0.22  -0.01    -0.17   0.10  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.6779               151.6878               155.2073
 Red. masses --      1.0329                 2.8305                 3.5188
 Frc consts  --      0.0095                 0.0384                 0.0499
 IR Inten    --      0.0320                 2.8155                 1.1385
 RamAct Fr= 1--      0.0789                 0.4420                 0.8471
  Dep-P Fr= 1--      0.7266                 0.5858                 0.6236
  Dep-U Fr= 1--      0.8417                 0.7388                 0.7682
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0020
 Beta2  Fr= 1--      0.0111                 0.0544                 0.1085
 AlphaG Fr= 1--     -0.0003                 0.0131                -0.0551
 Gamma2 Fr= 1--     -0.0332                -0.7219                 0.3773
 Delta2 Fr= 1--     -0.0103                 0.1268                 0.1133
 Raman1 Fr= 1--       0.316                  1.768                  3.389
 ROA1   Fr= 1--      -3.521                -65.247                 39.846
 CID1   Fr= 1--     -11.151                -36.901                 11.759
 Raman2 Fr= 1--       0.133                  0.653                  1.301
 ROA2   Fr= 1--      -0.715                -18.340                  8.148
 CID2   Fr= 1--      -5.380                -28.078                  6.261
 Raman3 Fr= 1--       0.266                  1.306                  2.603
 ROA3   Fr= 1--      -3.521                -65.247                 39.846
 CID3   Fr= 1--     -13.249                -49.945                 15.308
 RC180  Fr= 1--       0.683                  0.478                  0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.05   0.05     0.08  -0.04   0.04
     2   6     0.00   0.00  -0.00     0.01   0.01   0.00     0.01  -0.03   0.02
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.01  -0.06   0.01
     4   6    -0.00   0.01   0.00    -0.02  -0.12  -0.10    -0.00   0.01   0.02
     5   6     0.00   0.00   0.01    -0.04   0.01  -0.17    -0.08   0.36  -0.12
     6   6    -0.00   0.01  -0.00     0.01   0.00  -0.05    -0.03   0.08  -0.02
     7   8     0.01  -0.03   0.01    -0.07  -0.02   0.09     0.03  -0.16   0.05
     8   6    -0.00   0.01  -0.01    -0.01  -0.05   0.01     0.04  -0.00   0.03
     9   6     0.00   0.00  -0.00     0.04  -0.00   0.00    -0.02  -0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.13   0.05   0.15     0.02  -0.06  -0.06
    11   6    -0.01   0.01  -0.01     0.19   0.05  -0.03    -0.06  -0.02   0.01
    12   1     0.00   0.00   0.00     0.04   0.02  -0.16    -0.02   0.00   0.04
    13   1    -0.00   0.00  -0.00     0.20  -0.07   0.09    -0.07   0.02  -0.03
    14   1    -0.01  -0.00   0.00     0.12   0.09  -0.04    -0.03  -0.09   0.02
    15   1     0.01   0.00  -0.00    -0.23  -0.08   0.35     0.04  -0.02  -0.13
    16   1     0.00  -0.00  -0.00    -0.23   0.29   0.15     0.05  -0.14  -0.07
    17   1     0.01  -0.00  -0.00     0.00   0.05   0.04     0.11   0.04   0.05
    18   1     0.01  -0.00  -0.01    -0.04   0.05   0.09     0.14  -0.09   0.06
    19   1     0.00  -0.01  -0.00     0.03   0.10   0.05     0.05  -0.08   0.04
    20   1    -0.00   0.01  -0.01    -0.04  -0.05   0.04     0.08  -0.04   0.05
    21   1     0.00   0.01  -0.01    -0.02  -0.06   0.01     0.05   0.05   0.03
    22   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.01     0.00  -0.01   0.01
    23   1    -0.00   0.03  -0.00    -0.05  -0.27  -0.04     0.07  -0.29   0.16
    24   1     0.01  -0.02   0.02    -0.09   0.12  -0.22    -0.13   0.64  -0.24
    25   1     0.52  -0.15   0.20     0.28   0.03  -0.07    -0.12  -0.01   0.10
    26   1    -0.44  -0.40   0.04     0.20   0.01  -0.07    -0.02  -0.05  -0.04
    27   1    -0.10   0.50  -0.22     0.20   0.15   0.06    -0.05  -0.13   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.0849               242.2429               268.9996
 Red. masses --      1.2364                 1.9348                 1.4194
 Frc consts  --      0.0350                 0.0669                 0.0605
 IR Inten    --      0.1062                 0.5001                 0.2434
 RamAct Fr= 1--      0.1918                 0.6718                 2.5225
  Dep-P Fr= 1--      0.3665                 0.3385                 0.2377
  Dep-U Fr= 1--      0.5364                 0.5057                 0.3841
 Alpha2 Fr= 1--      0.0016                 0.0061                 0.0309
 Beta2  Fr= 1--      0.0171                 0.0566                 0.1615
 AlphaG Fr= 1--      0.0062                 0.0015                 0.0500
 Gamma2 Fr= 1--      0.4283                 0.0463                 0.6052
 Delta2 Fr= 1--     -0.0829                 0.1282                -0.0191
 Raman1 Fr= 1--       0.767                  2.687                 10.090
 ROA1   Fr= 1--      38.459                  8.550                 57.490
 CID1   Fr= 1--      50.131                  3.182                  5.698
 Raman2 Fr= 1--       0.206                  0.680                  1.938
 ROA2   Fr= 1--      10.942                  0.086                 14.678
 CID2   Fr= 1--      53.182                  0.127                  7.575
 Raman3 Fr= 1--       0.411                  1.359                  3.875
 ROA3   Fr= 1--      38.459                  8.550                 57.490
 CID3   Fr= 1--      93.463                  6.291                 14.835
 RC180  Fr= 1--       0.073                  0.011                 -0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.00   0.05    -0.06   0.03  -0.08     0.04  -0.01   0.01
     2   6    -0.02  -0.01   0.01     0.04  -0.00  -0.06     0.00  -0.01  -0.00
     3   6    -0.01   0.02   0.00     0.03   0.01  -0.05     0.00   0.03  -0.01
     4   6    -0.02   0.04  -0.03     0.02  -0.02  -0.01    -0.04   0.07  -0.07
     5   6    -0.00  -0.01  -0.02    -0.02   0.01   0.04    -0.04  -0.02  -0.03
     6   6     0.00  -0.00  -0.01    -0.04   0.01   0.04    -0.04  -0.00  -0.01
     7   8    -0.01   0.00   0.00    -0.02   0.00   0.01    -0.07  -0.00   0.02
     8   6    -0.06   0.00  -0.04     0.14  -0.06   0.08     0.03   0.01   0.01
     9   6    -0.02  -0.02   0.03     0.08  -0.01  -0.06     0.04  -0.04   0.02
    10   6     0.03  -0.01   0.01    -0.03   0.03   0.04     0.06  -0.00   0.03
    11   6     0.03  -0.01  -0.01    -0.12  -0.01   0.03    -0.02  -0.02   0.00
    12   1    -0.02  -0.04   0.08     0.08  -0.02  -0.20     0.05  -0.08   0.01
    13   1    -0.06  -0.03   0.01     0.21  -0.03   0.00     0.06  -0.04   0.02
    14   1     0.00   0.02   0.00     0.03   0.07  -0.07     0.04   0.05  -0.01
    15   1     0.05   0.02  -0.01    -0.08  -0.04   0.16     0.10   0.02   0.05
    16   1     0.06  -0.04   0.02    -0.10   0.18   0.03     0.07  -0.00   0.04
    17   1     0.06   0.44   0.33    -0.16   0.24   0.20     0.06   0.05   0.03
    18   1     0.52  -0.28   0.10     0.22  -0.10  -0.12     0.10  -0.06   0.03
    19   1    -0.27  -0.14  -0.21    -0.33  -0.02  -0.33     0.01  -0.03  -0.01
    20   1    -0.15   0.12  -0.17     0.19  -0.03   0.00     0.23  -0.31   0.39
    21   1    -0.11  -0.18  -0.07     0.01  -0.11   0.24     0.25   0.51  -0.02
    22   1     0.04   0.06   0.06     0.32  -0.07   0.16    -0.34  -0.13  -0.30
    23   1    -0.04   0.10  -0.06     0.06  -0.03  -0.00    -0.07   0.17  -0.12
    24   1     0.01  -0.06   0.01    -0.07   0.02   0.03    -0.03  -0.12   0.02
    25   1     0.03  -0.01  -0.01    -0.15   0.00   0.06    -0.03  -0.02   0.01
    26   1     0.05  -0.01  -0.02    -0.15   0.00   0.06    -0.01  -0.02  -0.02
    27   1     0.04  -0.01   0.02    -0.13  -0.04  -0.03    -0.02  -0.03   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    279.5889               332.3794               354.3342
 Red. masses --      1.9065                 2.3038                 2.2643
 Frc consts  --      0.0878                 0.1500                 0.1675
 IR Inten    --      0.5660                 0.0630                 0.1121
 RamAct Fr= 1--      4.5807                 0.8745                 1.7188
  Dep-P Fr= 1--      0.2113                 0.5750                 0.7106
  Dep-U Fr= 1--      0.3489                 0.7301                 0.8308
 Alpha2 Fr= 1--      0.0604                 0.0029                 0.0012
 Beta2  Fr= 1--      0.2664                 0.1064                 0.2380
 AlphaG Fr= 1--      0.0216                 0.0044                 0.0013
 Gamma2 Fr= 1--      0.4668                -1.1611                -0.9816
 Delta2 Fr= 1--      0.0249                -0.0985                -0.5461
 Raman1 Fr= 1--      18.323                  3.498                  6.875
 ROA1   Fr= 1--      45.611               -114.614               -111.711
 CID1   Fr= 1--       2.489                -32.767                -16.248
 Raman2 Fr= 1--       3.196                  1.277                  2.856
 ROA2   Fr= 1--      11.005                -27.077                -19.191
 CID2   Fr= 1--       3.443                -21.204                 -6.719
 Raman3 Fr= 1--       6.393                  2.554                  5.712
 ROA3   Fr= 1--      45.611               -114.614               -111.711
 CID3   Fr= 1--       7.135                -44.878                -19.557
 RC180  Fr= 1--      -0.302                  0.460                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03    -0.11  -0.06  -0.02     0.11  -0.14  -0.04
     2   6    -0.04  -0.00  -0.03    -0.03   0.01   0.08    -0.03   0.00   0.02
     3   6    -0.02  -0.01  -0.00    -0.05  -0.03   0.11    -0.05   0.01   0.02
     4   6     0.05  -0.03   0.09    -0.05  -0.01   0.09    -0.05   0.16  -0.01
     5   6     0.06   0.03   0.05    -0.01   0.00  -0.01     0.00   0.03   0.02
     6   6     0.08   0.01   0.01    -0.02  -0.02  -0.04     0.01   0.03  -0.03
     7   8     0.12   0.01  -0.04    -0.04  -0.02  -0.01     0.03  -0.02  -0.02
     8   6    -0.05  -0.05  -0.01    -0.00   0.14   0.02    -0.00  -0.08   0.11
     9   6    -0.08   0.01  -0.02     0.14   0.01  -0.07    -0.01   0.05  -0.06
    10   6    -0.10   0.02   0.00     0.03  -0.05  -0.05    -0.11   0.03  -0.01
    11   6     0.05   0.02   0.00     0.10   0.00  -0.04     0.06  -0.01  -0.00
    12   1    -0.08   0.05  -0.03     0.17  -0.11  -0.31    -0.01   0.05  -0.19
    13   1    -0.07  -0.02  -0.01     0.36   0.19  -0.03     0.10   0.09  -0.02
    14   1    -0.09  -0.00  -0.00    -0.08  -0.10   0.14    -0.06  -0.03   0.04
    15   1    -0.16  -0.03   0.03     0.10  -0.01  -0.04    -0.17  -0.04   0.08
    16   1    -0.12   0.08   0.01    -0.07  -0.13  -0.15    -0.19   0.14  -0.03
    17   1    -0.10   0.19   0.15    -0.22  -0.04   0.13     0.21  -0.19  -0.21
    18   1     0.18  -0.12  -0.05     0.04  -0.06  -0.18     0.13  -0.09  -0.14
    19   1    -0.26  -0.07  -0.19    -0.29  -0.15  -0.16     0.15  -0.31   0.12
    20   1     0.04  -0.30   0.33     0.10   0.14  -0.05    -0.03  -0.07   0.10
    21   1     0.13   0.32  -0.07     0.05   0.21  -0.01    -0.12  -0.16   0.24
    22   1    -0.34  -0.20  -0.30    -0.09   0.25   0.08     0.17  -0.15   0.13
    23   1     0.09  -0.10   0.12    -0.10  -0.03   0.09    -0.08   0.38  -0.10
    24   1     0.08   0.11   0.02     0.07   0.03  -0.01     0.09  -0.17   0.10
    25   1     0.05   0.02  -0.01     0.14  -0.01  -0.08     0.06  -0.01   0.03
    26   1     0.03   0.03   0.02     0.15  -0.01  -0.09     0.11  -0.04  -0.07
    27   1     0.05   0.03  -0.01     0.12   0.04   0.07     0.08  -0.02   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.0679               402.3419               446.9861
 Red. masses --      2.2837                 2.5137                 2.3439
 Frc consts  --      0.1853                 0.2397                 0.2759
 IR Inten    --      0.4749                 0.0742                 0.1198
 RamAct Fr= 1--      1.4029                 0.5067                 1.3860
  Dep-P Fr= 1--      0.1727                 0.5759                 0.5430
  Dep-U Fr= 1--      0.2945                 0.7309                 0.7038
 Alpha2 Fr= 1--      0.0205                 0.0017                 0.0055
 Beta2  Fr= 1--      0.0689                 0.0617                 0.1626
 AlphaG Fr= 1--     -0.0019                -0.0140                -0.0352
 Gamma2 Fr= 1--     -0.3559                 0.7405                 0.5117
 Delta2 Fr= 1--      0.1043                 0.1310                 0.5857
 Raman1 Fr= 1--       5.612                  2.027                  5.544
 ROA1   Fr= 1--     -30.830                 75.280                 67.870
 CID1   Fr= 1--      -5.494                 37.144                 12.242
 Raman2 Fr= 1--       0.826                  0.741                  1.951
 ROA2   Fr= 1--      -9.377                 16.725                  7.596
 CID2   Fr= 1--     -11.348                 22.582                  3.893
 Raman3 Fr= 1--       1.653                  1.481                  3.902
 ROA3   Fr= 1--     -30.830                 75.280                 67.870
 CID3   Fr= 1--     -18.656                 50.822                 17.394
 RC180  Fr= 1--      -0.411                  0.462                  0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04  -0.11     0.03   0.09   0.00    -0.04   0.06  -0.05
     2   6     0.04   0.09   0.02    -0.03  -0.04  -0.13     0.17   0.00   0.02
     3   6     0.02   0.08   0.04    -0.10   0.08   0.01     0.04  -0.10   0.09
     4   6    -0.00  -0.10   0.06    -0.06   0.04   0.15    -0.01   0.07   0.04
     5   6    -0.01  -0.03  -0.01    -0.02   0.02   0.07    -0.01   0.04   0.02
     6   6    -0.04  -0.06  -0.01    -0.05  -0.05  -0.03    -0.06   0.07  -0.06
     7   8    -0.09   0.01   0.02    -0.05  -0.02  -0.05    -0.06  -0.05   0.01
     8   6    -0.06  -0.11   0.05     0.12  -0.04   0.01     0.07  -0.08  -0.10
     9   6     0.02   0.11   0.04    -0.05  -0.10  -0.02    -0.01   0.07   0.06
    10   6     0.09   0.08  -0.03     0.02   0.00   0.01    -0.05  -0.05   0.02
    11   6     0.01   0.01  -0.03     0.11   0.01  -0.05     0.03  -0.02  -0.02
    12   1     0.01   0.14   0.16    -0.06  -0.10   0.11    -0.05   0.29   0.19
    13   1    -0.10   0.11  -0.01    -0.15  -0.22  -0.04    -0.16  -0.05   0.02
    14   1     0.01   0.10   0.04    -0.25   0.18  -0.01     0.02  -0.14   0.11
    15   1     0.20   0.20  -0.18     0.16   0.11  -0.02    -0.11  -0.06  -0.06
    16   1     0.16  -0.14  -0.06     0.07  -0.13   0.00    -0.04  -0.07   0.02
    17   1     0.03  -0.05  -0.10     0.09   0.17  -0.04    -0.23  -0.06   0.15
    18   1     0.18  -0.01  -0.29    -0.07   0.03   0.21    -0.08   0.14  -0.14
    19   1    -0.07  -0.23  -0.10     0.14   0.24   0.03    -0.13   0.18  -0.22
    20   1    -0.22  -0.15   0.24     0.28  -0.08  -0.05    -0.10  -0.04  -0.03
    21   1    -0.08  -0.15   0.06     0.00   0.01   0.21     0.13  -0.16  -0.24
    22   1     0.00  -0.31  -0.10     0.27  -0.04   0.08     0.01  -0.12  -0.18
    23   1    -0.01  -0.32   0.15    -0.04  -0.03   0.18    -0.07   0.35  -0.09
    24   1    -0.02   0.17  -0.10     0.10   0.11   0.04     0.10  -0.20   0.13
    25   1     0.06  -0.00  -0.12     0.22  -0.02  -0.16     0.03  -0.03   0.08
    26   1    -0.01   0.04  -0.00     0.19   0.01  -0.11     0.13  -0.11  -0.17
    27   1     0.01   0.07  -0.01     0.15   0.12   0.13     0.06  -0.07   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    539.0465               559.2387               589.2759
 Red. masses --      2.8331                 3.8330                 2.6934
 Frc consts  --      0.4850                 0.7063                 0.5511
 IR Inten    --      8.7695                 7.8933                 2.1714
 RamAct Fr= 1--      3.7384                 0.6895                 2.4969
  Dep-P Fr= 1--      0.1459                 0.6966                 0.1331
  Dep-U Fr= 1--      0.2546                 0.8212                 0.2349
 Alpha2 Fr= 1--      0.0584                 0.0006                 0.0403
 Beta2  Fr= 1--      0.1586                 0.0944                 0.0978
 AlphaG Fr= 1--     -0.0111                -0.0052                -0.1571
 Gamma2 Fr= 1--      0.1791                -0.3264                -0.3275
 Delta2 Fr= 1--     -0.0884                 0.0190                 0.0717
 Raman1 Fr= 1--      14.954                  2.758                  9.988
 ROA1   Fr= 1--      14.365                -30.731                -29.142
 CID1   Fr= 1--       0.961                -11.142                 -2.918
 Raman2 Fr= 1--       1.903                  1.132                  1.173
 ROA2   Fr= 1--       5.006                 -7.986                 -8.433
 CID2   Fr= 1--       2.630                 -7.052                 -7.188
 Raman3 Fr= 1--       3.807                  2.265                  2.346
 ROA3   Fr= 1--      14.365                -30.731                -29.142
 CID3   Fr= 1--       3.774                -13.568                -12.420
 RC180  Fr= 1--      -0.491                  0.642                 -0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.04   0.08  -0.08     0.02   0.04  -0.04
     2   6    -0.01  -0.01  -0.04     0.02   0.06  -0.02    -0.08   0.04  -0.04
     3   6    -0.08   0.03   0.12    -0.11  -0.01   0.08     0.03  -0.02  -0.06
     4   6    -0.07   0.00   0.06    -0.17  -0.10  -0.08     0.08  -0.11   0.05
     5   6     0.09  -0.06  -0.15    -0.14  -0.08  -0.08     0.04  -0.06   0.07
     6   6     0.17   0.06  -0.06    -0.00   0.12   0.05    -0.06   0.24  -0.12
     7   8     0.01   0.07   0.18     0.21  -0.04  -0.12    -0.03  -0.08   0.05
     8   6     0.04  -0.02  -0.01     0.01  -0.01   0.01    -0.08   0.05   0.06
     9   6    -0.01  -0.02  -0.02     0.04   0.00   0.04     0.00  -0.04   0.01
    10   6    -0.02  -0.01  -0.00     0.03  -0.06   0.04     0.04   0.01   0.01
    11   6    -0.05  -0.04  -0.07     0.02   0.08   0.17    -0.01   0.01  -0.04
    12   1    -0.02   0.01   0.02     0.04   0.02   0.03     0.02  -0.15  -0.04
    13   1    -0.06  -0.06  -0.03     0.04  -0.05   0.05     0.06  -0.02   0.03
    14   1    -0.17   0.06   0.11    -0.04   0.04   0.06     0.02   0.00  -0.06
    15   1     0.10   0.09  -0.07     0.21   0.13  -0.12     0.02  -0.00   0.02
    16   1    -0.04  -0.20  -0.07     0.07  -0.35  -0.02     0.06   0.04   0.04
    17   1    -0.00   0.03  -0.01     0.02   0.05  -0.07     0.12   0.12  -0.14
    18   1    -0.01   0.01   0.01     0.04   0.10  -0.13     0.06  -0.01   0.00
    19   1     0.01   0.06  -0.04     0.02   0.07  -0.09     0.06  -0.03   0.04
    20   1     0.10  -0.05  -0.02    -0.02  -0.03   0.07    -0.05   0.02   0.07
    21   1    -0.01   0.01   0.08    -0.05  -0.02   0.09    -0.12   0.07   0.13
    22   1     0.10  -0.04   0.01     0.09  -0.09  -0.02    -0.03   0.01   0.05
    23   1    -0.31   0.02   0.02    -0.34  -0.04  -0.12     0.15  -0.01   0.02
    24   1     0.19  -0.10  -0.12    -0.33  -0.21  -0.03     0.11  -0.22   0.14
    25   1    -0.29   0.01   0.19     0.00   0.08   0.30    -0.08  -0.00   0.44
    26   1    -0.25  -0.06   0.07     0.08  -0.02   0.05     0.17  -0.33  -0.42
    27   1    -0.12  -0.29  -0.49     0.04   0.02   0.26     0.05  -0.26   0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.2279               730.0886               803.3491
 Red. masses --      3.1721                 1.4722                 3.3678
 Frc consts  --      0.7423                 0.4624                 1.2806
 IR Inten    --      3.0810                 6.1136                 2.7011
 RamAct Fr= 1--      7.5559                 6.6663                17.0684
  Dep-P Fr= 1--      0.0508                 0.1317                 0.6958
  Dep-U Fr= 1--      0.0966                 0.2327                 0.8206
 Alpha2 Fr= 1--      0.1490                 0.1079                 0.0162
 Beta2  Fr= 1--      0.1217                 0.2586                 2.3344
 AlphaG Fr= 1--      0.2411                 0.2462                 0.1126
 Gamma2 Fr= 1--     -0.4488                 1.6925                 3.8721
 Delta2 Fr= 1--     -0.1716                 0.4738                -1.8481
 Raman1 Fr= 1--      30.224                 26.665                 68.274
 ROA1   Fr= 1--     -48.574                177.643                312.588
 CID1   Fr= 1--      -1.607                  6.662                  4.578
 Raman2 Fr= 1--       1.460                  3.103                 28.013
 ROA2   Fr= 1--      -9.398                 36.830                107.716
 CID2   Fr= 1--      -6.438                 11.869                  3.845
 Raman3 Fr= 1--       2.920                  6.206                 56.026
 ROA3   Fr= 1--     -48.574                177.643                312.588
 CID3   Fr= 1--     -16.637                 28.623                  5.579
 RC180  Fr= 1--      -0.807                 -0.535                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.17   0.17     0.02   0.04  -0.04    -0.02   0.00  -0.03
     2   6     0.03  -0.10   0.03     0.01   0.01   0.01    -0.07  -0.02  -0.05
     3   6     0.01   0.14   0.03     0.04  -0.05   0.07     0.09  -0.01   0.10
     4   6    -0.02  -0.06   0.00    -0.02  -0.01   0.01     0.09   0.01   0.04
     5   6    -0.02  -0.07  -0.01    -0.00   0.01  -0.03     0.18   0.00  -0.16
     6   6    -0.03   0.10  -0.03    -0.00  -0.01   0.00    -0.05  -0.06  -0.09
     7   8     0.03  -0.04  -0.02    -0.00  -0.00  -0.01    -0.10  -0.05  -0.07
     8   6     0.10  -0.06  -0.08    -0.04   0.03   0.04    -0.01  -0.01  -0.01
     9   6    -0.03   0.06  -0.10     0.01  -0.08  -0.08    -0.04   0.00   0.01
    10   6     0.03   0.19  -0.06     0.06   0.05  -0.05    -0.04   0.03  -0.01
    11   6    -0.00   0.04   0.04    -0.00   0.01   0.03    -0.04   0.09   0.26
    12   1    -0.05   0.11   0.13     0.00  -0.14   0.42    -0.03  -0.02  -0.19
    13   1    -0.22   0.08  -0.18    -0.41  -0.06  -0.26     0.14  -0.04   0.09
    14   1     0.01   0.21   0.01     0.04  -0.18   0.12     0.04  -0.02   0.11
    15   1     0.10   0.20   0.06    -0.04  -0.16   0.39    -0.06   0.08  -0.22
    16   1    -0.05   0.19  -0.12    -0.23   0.41  -0.15     0.07  -0.14   0.02
    17   1    -0.14  -0.20   0.24    -0.01  -0.00  -0.02     0.09   0.13  -0.09
    18   1    -0.11  -0.17   0.20     0.02   0.07  -0.10    -0.01  -0.09   0.13
    19   1    -0.09  -0.10   0.11    -0.00   0.04  -0.06     0.06   0.03   0.03
    20   1     0.18  -0.04  -0.18    -0.04   0.02   0.05     0.10  -0.04  -0.05
    21   1     0.18  -0.03  -0.17    -0.05   0.04   0.06    -0.06   0.06   0.09
    22   1    -0.00   0.07  -0.02    -0.03   0.03   0.05     0.03   0.01   0.02
    23   1    -0.10  -0.14   0.03    -0.10   0.03  -0.01    -0.08   0.11  -0.03
    24   1    -0.07  -0.06  -0.02     0.01  -0.04  -0.01     0.44  -0.09  -0.11
    25   1    -0.03   0.03   0.26     0.00   0.01  -0.01    -0.05   0.10   0.20
    26   1     0.07  -0.12  -0.13    -0.01   0.04   0.06    -0.07   0.14   0.32
    27   1     0.02  -0.08   0.13    -0.01   0.03   0.02    -0.04   0.16   0.30
                     22                     23                     24
                      A                      A                      A
 Frequencies --    843.1803               869.8129               893.1449
 Red. masses --      2.3417                 2.0686                 1.8118
 Frc consts  --      0.9809                 0.9221                 0.8515
 IR Inten    --      2.4536                 0.1970                 0.1808
 RamAct Fr= 1--     20.1706                 9.8345                 6.7537
  Dep-P Fr= 1--      0.3506                 0.6646                 0.1156
  Dep-U Fr= 1--      0.5191                 0.7985                 0.2073
 Alpha2 Fr= 1--      0.1768                 0.0149                 0.1138
 Beta2  Fr= 1--      1.7452                 1.3088                 0.2334
 AlphaG Fr= 1--      1.1728                 0.0936                -0.1404
 Gamma2 Fr= 1--      6.6184                 0.3177                -2.5686
 Delta2 Fr= 1--      0.3450                -0.4302                -1.2686
 Raman1 Fr= 1--      80.682                 39.338                 27.015
 ROA1   Fr= 1--     646.406                 16.735               -287.176
 CID1   Fr= 1--       8.012                  0.425                -10.630
 Raman2 Fr= 1--      20.943                 15.706                  2.800
 ROA2   Fr= 1--     156.081                 11.068                -51.497
 CID2   Fr= 1--       7.453                  0.705                -18.390
 Raman3 Fr= 1--      41.886                 31.412                  5.601
 ROA3   Fr= 1--     646.406                 16.735               -287.176
 CID3   Fr= 1--      15.433                  0.533                -51.276
 RC180  Fr= 1--       0.038                  0.597                 -0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.02    -0.05  -0.02  -0.01     0.02   0.02   0.01
     2   6    -0.11  -0.01  -0.08    -0.10   0.02  -0.05     0.02   0.05   0.06
     3   6     0.08  -0.10   0.11    -0.02  -0.05  -0.04    -0.03  -0.07  -0.07
     4   6     0.01  -0.11   0.00    -0.06   0.05   0.03    -0.07  -0.00   0.07
     5   6    -0.08   0.11  -0.00     0.00  -0.06   0.00    -0.02  -0.00  -0.02
     6   6     0.00   0.00   0.06     0.01  -0.00  -0.02     0.02  -0.01  -0.02
     7   8     0.03   0.02   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     8   6    -0.00  -0.02  -0.05     0.04  -0.04  -0.08     0.08  -0.01  -0.01
     9   6    -0.01   0.05   0.02     0.09   0.14   0.13    -0.09  -0.07   0.04
    10   6     0.03   0.14   0.01     0.07  -0.07  -0.03     0.06   0.12  -0.05
    11   6     0.01  -0.07  -0.07     0.01   0.03   0.02     0.02   0.01   0.03
    12   1     0.01  -0.03  -0.07     0.10   0.05   0.21    -0.03  -0.38  -0.29
    13   1     0.09   0.04   0.07    -0.02   0.35   0.04     0.29   0.05   0.17
    14   1     0.13  -0.18   0.13    -0.11  -0.18   0.00    -0.15  -0.31   0.00
    15   1     0.03   0.18  -0.13    -0.20  -0.32   0.20    -0.07   0.03  -0.03
    16   1     0.11  -0.00   0.01    -0.07   0.35   0.00     0.28   0.32   0.18
    17   1     0.12   0.18  -0.13     0.13   0.20  -0.14    -0.04  -0.08   0.03
    18   1    -0.02  -0.16   0.21    -0.01  -0.17   0.21     0.02   0.09  -0.12
    19   1     0.06   0.00   0.08     0.06  -0.04   0.13    -0.03  -0.04  -0.00
    20   1     0.18  -0.09  -0.09     0.15  -0.10  -0.06    -0.19   0.07   0.07
    21   1    -0.08   0.09   0.13    -0.04   0.02   0.08     0.13  -0.18  -0.20
    22   1     0.09  -0.02  -0.00     0.16  -0.09  -0.08     0.00  -0.09  -0.13
    23   1    -0.07   0.32  -0.18    -0.05  -0.17   0.12    -0.10   0.03   0.05
    24   1    -0.13  -0.42   0.22     0.02   0.18  -0.10     0.07  -0.04  -0.00
    25   1     0.07  -0.07  -0.31    -0.05   0.03   0.13    -0.06   0.03   0.06
    26   1     0.02   0.07   0.02    -0.02  -0.03  -0.00    -0.06   0.03   0.10
    27   1    -0.00   0.07  -0.08     0.00  -0.05  -0.03    -0.00  -0.03  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    905.8905               946.6624               956.6373
 Red. masses --      2.0860                 2.2203                 1.5327
 Frc consts  --      1.0086                 1.1723                 0.8264
 IR Inten    --      6.0651                 1.6034                 0.4220
 RamAct Fr= 1--     28.9884                14.5405                 4.2644
  Dep-P Fr= 1--      0.2537                 0.7499                 0.5036
  Dep-U Fr= 1--      0.4047                 0.8571                 0.6699
 Alpha2 Fr= 1--      0.3400                 0.0000                 0.0207
 Beta2  Fr= 1--      1.9554                 2.0771                 0.4761
 AlphaG Fr= 1--     -1.0628                -0.0007                -0.0258
 Gamma2 Fr= 1--     -5.0476                 2.9551                 0.5248
 Delta2 Fr= 1--      0.7429                 1.6842                -0.2549
 Raman1 Fr= 1--     115.954                 58.162                 17.058
 ROA1   Fr= 1--    -460.798                337.585                 42.221
 CID1   Fr= 1--      -3.974                  5.804                  2.475
 Raman2 Fr= 1--      23.465                 24.925                  5.713
 ROA2   Fr= 1--    -127.086                 57.450                 14.633
 CID2   Fr= 1--      -5.416                  2.305                  2.561
 Raman3 Fr= 1--      46.931                 49.851                 11.427
 ROA3   Fr= 1--    -460.798                337.585                 42.221
 CID3   Fr= 1--      -9.819                  6.772                  3.695
 RC180  Fr= 1--      -0.191                  0.714                  0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.05     0.03  -0.01  -0.02    -0.03   0.11  -0.01
     2   6    -0.04  -0.02   0.02     0.01  -0.07  -0.04    -0.06  -0.00   0.07
     3   6     0.10  -0.01   0.15    -0.01  -0.13  -0.01    -0.01   0.01   0.01
     4   6    -0.00   0.12  -0.09    -0.03   0.05  -0.00     0.01  -0.01  -0.01
     5   6     0.01  -0.11   0.06    -0.00  -0.04   0.02     0.01   0.01  -0.00
     6   6    -0.02   0.01   0.04     0.01  -0.01  -0.01    -0.00   0.00  -0.00
     7   8     0.02   0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.01  -0.03  -0.02    -0.07   0.00   0.03     0.06  -0.10  -0.01
     9   6    -0.05  -0.06   0.02    -0.08   0.10  -0.13    -0.05   0.02  -0.05
    10   6    -0.05   0.07  -0.05     0.12   0.02   0.14     0.02  -0.04   0.05
    11   6    -0.02   0.01  -0.06     0.02   0.02   0.01    -0.00  -0.00   0.00
    12   1    -0.02  -0.19  -0.14    -0.14   0.45  -0.27    -0.05   0.00  -0.05
    13   1     0.13  -0.08   0.10    -0.02  -0.02  -0.08    -0.05   0.15  -0.08
    14   1     0.20  -0.19   0.20    -0.03  -0.21   0.02     0.05   0.06  -0.00
    15   1    -0.13   0.06  -0.23     0.22   0.07   0.18     0.12  -0.01   0.14
    16   1     0.02  -0.04  -0.04     0.34   0.07   0.32    -0.03  -0.05   0.01
    17   1     0.04   0.08  -0.07    -0.07  -0.04   0.10     0.18   0.09  -0.33
    18   1     0.02   0.02  -0.01    -0.06   0.01   0.02     0.23   0.12  -0.28
    19   1     0.03   0.05  -0.03     0.02   0.15  -0.15    -0.07  -0.36   0.25
    20   1     0.10  -0.04  -0.07     0.10  -0.02  -0.06     0.19  -0.00  -0.27
    21   1     0.01   0.03   0.01    -0.09   0.11   0.11     0.26  -0.01  -0.27
    22   1     0.01   0.03   0.03    -0.08   0.11   0.13    -0.23   0.21   0.15
    23   1    -0.01  -0.32   0.10     0.01  -0.07   0.06     0.03  -0.01  -0.00
    24   1    -0.24   0.51  -0.22    -0.00   0.21  -0.09     0.03  -0.07   0.03
    25   1     0.05  -0.02   0.07    -0.05   0.03   0.10     0.01  -0.01  -0.02
    26   1     0.09  -0.13  -0.25    -0.03  -0.02   0.01     0.01   0.01   0.00
    27   1     0.02  -0.05   0.10     0.01  -0.05  -0.06    -0.00   0.01   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    975.8792               986.2528              1015.0798
 Red. masses --      1.8440                 1.6079                 1.5076
 Frc consts  --      1.0347                 0.9215                 0.9152
 IR Inten    --      6.2109                 7.4693                15.8205
 RamAct Fr= 1--     10.6258                29.1364                25.7524
  Dep-P Fr= 1--      0.4935                 0.1528                 0.3566
  Dep-U Fr= 1--      0.6608                 0.2650                 0.5257
 Alpha2 Fr= 1--      0.0541                 0.4473                 0.2213
 Beta2  Fr= 1--      1.1703                 1.2870                 2.2566
 AlphaG Fr= 1--      0.0645                 0.0391                -0.0653
 Gamma2 Fr= 1--     -4.1996                 1.8347                -1.5044
 Delta2 Fr= 1--     -4.9363                 0.5594                -0.6778
 Raman1 Fr= 1--      42.503                116.546                103.010
 ROA1   Fr= 1--    -561.127                194.032               -166.113
 CID1   Fr= 1--     -13.202                  1.665                 -1.613
 Raman2 Fr= 1--      14.044                 15.444                 27.079
 ROA2   Fr= 1--     -61.301                 39.558                -30.684
 CID2   Fr= 1--      -4.365                  2.561                 -1.133
 Raman3 Fr= 1--      28.088                 30.888                 54.157
 ROA3   Fr= 1--    -561.127                194.032               -166.113
 CID3   Fr= 1--     -19.977                  6.282                 -3.067
 RC180  Fr= 1--       0.322                 -0.470                  0.051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.11    -0.00  -0.03  -0.04     0.03   0.01   0.04
     2   6    -0.04   0.14  -0.01    -0.02   0.01   0.02     0.01  -0.00  -0.01
     3   6    -0.06  -0.08   0.02     0.02   0.05   0.06    -0.03   0.01  -0.04
     4   6     0.05   0.02  -0.05     0.02  -0.01  -0.01    -0.01   0.00   0.03
     5   6     0.03  -0.01   0.02     0.03   0.00  -0.03     0.07  -0.01  -0.08
     6   6     0.00  -0.01  -0.01    -0.02   0.01   0.03    -0.01   0.02   0.04
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.02     0.04   0.03   0.04
     8   6     0.04   0.04  -0.11     0.06   0.05  -0.01    -0.04  -0.02  -0.01
     9   6    -0.00  -0.03  -0.06    -0.12   0.01  -0.05     0.02   0.01   0.03
    10   6    -0.00   0.01   0.07     0.05  -0.10   0.03     0.02   0.00  -0.02
    11   6    -0.01   0.01   0.01    -0.05  -0.02  -0.02    -0.12  -0.03  -0.02
    12   1    -0.00  -0.06   0.07    -0.09  -0.17  -0.25     0.00   0.11  -0.00
    13   1    -0.09  -0.11  -0.08     0.03   0.44  -0.09     0.04  -0.13   0.07
    14   1     0.06  -0.18   0.05     0.03   0.16   0.03    -0.19  -0.08  -0.00
    15   1     0.21   0.14   0.11     0.11  -0.14   0.27    -0.13  -0.09  -0.06
    16   1    -0.05  -0.19  -0.02    -0.06   0.02  -0.01     0.14   0.16   0.12
    17   1    -0.06  -0.19   0.03     0.01   0.11   0.02    -0.08  -0.16   0.08
    18   1     0.08   0.11  -0.21    -0.08  -0.10   0.18     0.03   0.13  -0.17
    19   1    -0.16  -0.31   0.17     0.09   0.17  -0.07    -0.08  -0.06  -0.03
    20   1     0.03  -0.10   0.12    -0.28   0.07   0.22     0.17  -0.07  -0.11
    21   1    -0.20   0.02   0.24     0.01  -0.18  -0.07    -0.06   0.11   0.10
    22   1     0.41  -0.28  -0.24     0.12  -0.21  -0.22     0.00   0.07   0.09
    23   1     0.18  -0.01  -0.03    -0.07  -0.03  -0.01    -0.12  -0.10   0.06
    24   1     0.04   0.11  -0.03    -0.02  -0.08   0.00     0.09  -0.15  -0.02
    25   1     0.01  -0.00   0.02     0.12  -0.06  -0.14     0.24  -0.12  -0.25
    26   1     0.01  -0.01  -0.02     0.11  -0.01  -0.14     0.22  -0.02  -0.29
    27   1    -0.00   0.01   0.05    -0.01   0.10   0.22    -0.02   0.21   0.49
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1023.2936              1036.8441              1048.1019
 Red. masses --      1.1644                 1.6630                 1.6073
 Frc consts  --      0.7184                 1.0533                 1.0403
 IR Inten    --     29.7306                 3.2904                 6.8977
 RamAct Fr= 1--      1.7131                 7.9977                49.2087
  Dep-P Fr= 1--      0.6227                 0.4723                 0.2121
  Dep-U Fr= 1--      0.7675                 0.6416                 0.3499
 Alpha2 Fr= 1--      0.0040                 0.0447                 0.6471
 Beta2  Fr= 1--      0.2191                 0.8552                 2.8700
 AlphaG Fr= 1--     -0.1923                 0.3487                -0.1162
 Gamma2 Fr= 1--     -0.3388                 4.2724                -3.5099
 Delta2 Fr= 1--     -0.0052                 0.3223                 3.0398
 Raman1 Fr= 1--       6.852                 31.991                196.835
 ROA1   Fr= 1--     -32.694                420.463               -239.679
 CID1   Fr= 1--      -4.771                 13.143                 -1.218
 Raman2 Fr= 1--       2.629                 10.263                 34.439
 ROA2   Fr= 1--      -8.091                 99.959               -108.556
 CID2   Fr= 1--      -3.077                  9.740                 -3.152
 Raman3 Fr= 1--       5.259                 20.525                 68.879
 ROA3   Fr= 1--     -32.694                420.463               -239.679
 CID3   Fr= 1--      -6.217                 20.485                 -3.480
 RC180  Fr= 1--       0.535                  0.283                 -0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.00     0.06   0.03   0.04     0.09   0.01  -0.05
     2   6     0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.04  -0.05   0.06
     3   6    -0.03  -0.00  -0.02     0.07   0.11   0.03    -0.12  -0.03  -0.01
     4   6     0.01  -0.07   0.03     0.00  -0.06   0.03     0.06  -0.01  -0.05
     5   6     0.03  -0.05   0.01    -0.04  -0.00   0.02     0.03   0.01   0.02
     6   6    -0.01   0.03  -0.01    -0.01   0.03  -0.01     0.00   0.01  -0.02
     7   8     0.01  -0.00   0.01    -0.01  -0.01  -0.01    -0.01  -0.01   0.00
     8   6     0.01  -0.00   0.02    -0.05  -0.02  -0.07    -0.02  -0.05  -0.03
     9   6     0.02   0.00   0.00    -0.07  -0.00   0.01    -0.01   0.03   0.07
    10   6    -0.00   0.01   0.01     0.03  -0.09  -0.04    -0.01   0.06   0.01
    11   6    -0.02  -0.02   0.01     0.05  -0.01   0.01    -0.01  -0.01   0.01
    12   1     0.02   0.01   0.04    -0.06  -0.04  -0.18     0.05  -0.32   0.07
    13   1    -0.02  -0.01  -0.01     0.07   0.12   0.03     0.05   0.43   0.01
    14   1    -0.06  -0.07  -0.00     0.11   0.11   0.03    -0.03  -0.04  -0.01
    15   1     0.06   0.05   0.03    -0.21  -0.27  -0.02     0.22   0.18   0.14
    16   1    -0.01  -0.01  -0.01     0.10   0.17   0.10    -0.24  -0.10  -0.21
    17   1     0.05   0.05  -0.05    -0.13  -0.23   0.15    -0.14  -0.11   0.21
    18   1     0.01  -0.04   0.05     0.02   0.21  -0.25    -0.11   0.11  -0.04
    19   1     0.02  -0.01   0.03    -0.10  -0.02  -0.10     0.03   0.29  -0.29
    20   1    -0.05   0.04   0.01     0.27  -0.16  -0.09     0.21  -0.09  -0.14
    21   1     0.06  -0.04  -0.07    -0.19   0.18   0.26    -0.01   0.08   0.05
    22   1    -0.06   0.02   0.00     0.18  -0.02   0.04    -0.02   0.08   0.10
    23   1    -0.11   0.62  -0.27    -0.13   0.23  -0.10     0.22  -0.01  -0.04
    24   1    -0.08   0.58  -0.27    -0.12   0.11  -0.03     0.07   0.01   0.02
    25   1     0.05  -0.04  -0.13    -0.08   0.03  -0.01     0.01  -0.01  -0.05
    26   1     0.04   0.04   0.00    -0.09   0.05   0.16    -0.00   0.04   0.05
    27   1    -0.01   0.09   0.09     0.00  -0.04  -0.21    -0.01   0.04   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1051.0773              1155.3002              1195.1245
 Red. masses --      1.8581                 1.6878                 1.9370
 Frc consts  --      1.2095                 1.3273                 1.6301
 IR Inten    --      0.5821                12.3866                 3.0523
 RamAct Fr= 1--      2.5681                84.8019                13.4316
  Dep-P Fr= 1--      0.5696                 0.3678                 0.4523
  Dep-U Fr= 1--      0.7258                 0.5378                 0.6229
 Alpha2 Fr= 1--      0.0087                 0.7021                 0.0816
 Beta2  Fr= 1--      0.3106                 7.6008                 1.3944
 AlphaG Fr= 1--     -0.0117                -0.1271                -0.0906
 Gamma2 Fr= 1--     -0.4689                -6.1259                 1.0175
 Delta2 Fr= 1--     -0.1158                -0.8873                 1.5680
 Raman1 Fr= 1--      10.272                339.208                 53.726
 ROA1   Fr= 1--     -48.715               -616.481                147.859
 CID1   Fr= 1--      -4.742                 -1.817                  2.752
 Raman2 Fr= 1--       3.728                 91.209                 16.733
 ROA2   Fr= 1--     -10.326               -139.923                 11.877
 CID2   Fr= 1--      -2.770                 -1.534                  0.710
 Raman3 Fr= 1--       7.456                182.418                 33.465
 ROA3   Fr= 1--     -48.715               -616.481                147.859
 CID3   Fr= 1--      -6.534                 -3.379                  4.418
 RC180  Fr= 1--       0.452                  0.076                  0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.04   0.01   0.06    -0.04  -0.01  -0.04
     2   6     0.01   0.00  -0.01    -0.05  -0.02  -0.11     0.09   0.03   0.10
     3   6     0.01  -0.01   0.00     0.10  -0.12  -0.01     0.09  -0.02  -0.10
     4   6    -0.02   0.05  -0.02    -0.06   0.03   0.04    -0.13   0.01   0.08
     5   6     0.01  -0.07   0.03    -0.01  -0.02  -0.01    -0.05  -0.01  -0.01
     6   6    -0.04   0.19  -0.08     0.00  -0.01   0.00     0.04  -0.01  -0.03
     7   8     0.01  -0.03   0.02     0.01   0.01   0.01     0.03   0.01   0.02
     8   6     0.00   0.01   0.01     0.01   0.01   0.03    -0.05  -0.01  -0.06
     9   6     0.01  -0.00  -0.01     0.00   0.06  -0.01    -0.01  -0.03  -0.02
    10   6    -0.00   0.00   0.00     0.01   0.02   0.06    -0.07   0.00   0.00
    11   6     0.03  -0.14   0.06    -0.01   0.00  -0.00    -0.03  -0.00   0.01
    12   1    -0.00   0.04   0.01     0.07  -0.41   0.13     0.01  -0.13   0.04
    13   1    -0.01  -0.06  -0.00    -0.03   0.15  -0.05    -0.03   0.18  -0.07
    14   1     0.00   0.01  -0.01     0.02   0.60  -0.25     0.59   0.05  -0.14
    15   1    -0.02   0.00  -0.02    -0.13  -0.00  -0.19     0.22   0.18   0.07
    16   1     0.02  -0.01   0.01    -0.12  -0.14  -0.10     0.02  -0.10   0.03
    17   1     0.02   0.03  -0.02    -0.09  -0.22   0.09     0.07   0.16  -0.07
    18   1     0.01  -0.02   0.02     0.01   0.15  -0.18     0.01  -0.12   0.12
    19   1     0.00  -0.02   0.03    -0.12  -0.09  -0.04     0.10   0.05   0.06
    20   1    -0.04   0.02   0.02    -0.11   0.07   0.01     0.19  -0.13  -0.04
    21   1     0.01  -0.02  -0.02     0.05  -0.05  -0.07    -0.13   0.16   0.17
    22   1    -0.01  -0.01  -0.01    -0.10   0.01  -0.02     0.15   0.02   0.07
    23   1     0.04  -0.31   0.14    -0.11   0.03   0.04    -0.00   0.04   0.08
    24   1     0.00  -0.01   0.00     0.04   0.09  -0.05     0.35   0.07  -0.01
    25   1     0.02  -0.09  -0.58     0.01  -0.00  -0.00     0.06  -0.03  -0.02
    26   1    -0.07   0.35   0.47     0.01  -0.01  -0.03     0.05   0.02  -0.04
    27   1    -0.05   0.29  -0.12     0.00   0.00   0.03    -0.01   0.06   0.14
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1204.7934              1227.6541              1242.1751
 Red. masses --      1.6792                 1.4227                 1.8297
 Frc consts  --      1.4361                 1.2633                 1.6634
 IR Inten    --      5.4146                 2.7977                 5.1363
 RamAct Fr= 1--     23.4876                52.2210                18.9180
  Dep-P Fr= 1--      0.2851                 0.4341                 0.3232
  Dep-U Fr= 1--      0.4437                 0.6054                 0.4885
 Alpha2 Fr= 1--      0.2518                 0.3409                 0.1808
 Beta2  Fr= 1--      1.7369                 5.2687                 1.5401
 AlphaG Fr= 1--      0.4082                 0.1538                 0.1512
 Gamma2 Fr= 1--      5.6189                 0.6709                 2.3058
 Delta2 Fr= 1--     -0.6714                 0.8599                 0.8257
 Raman1 Fr= 1--      93.950                208.884                 75.672
 ROA1   Fr= 1--     517.924                 91.927                247.774
 CID1   Fr= 1--       5.513                  0.440                  3.274
 Raman2 Fr= 1--      20.843                 63.225                 18.482
 ROA2   Fr= 1--     140.224                  9.223                 48.733
 CID2   Fr= 1--       6.728                  0.146                  2.637
 Raman3 Fr= 1--      41.685                126.450                 36.963
 ROA3   Fr= 1--     517.924                 91.927                247.774
 CID3   Fr= 1--      12.425                  0.727                  6.703
 RC180  Fr= 1--      -0.113                  0.211                 -0.023
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.01     0.04   0.02   0.04    -0.00  -0.06   0.02
     2   6     0.15  -0.06   0.00    -0.08  -0.03  -0.08     0.05   0.18  -0.08
     3   6    -0.00  -0.08   0.03     0.04   0.01  -0.01     0.04   0.00   0.00
     4   6     0.03   0.02  -0.02    -0.05  -0.00   0.02     0.01   0.02   0.01
     5   6     0.01  -0.01  -0.00    -0.02  -0.00   0.00     0.02  -0.00  -0.01
     6   6    -0.00  -0.00   0.01     0.01  -0.00  -0.01    -0.03   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01    -0.00  -0.00  -0.01
     8   6    -0.06   0.03  -0.03     0.03   0.02   0.03    -0.03  -0.07   0.03
     9   6    -0.05  -0.02   0.07    -0.01  -0.04   0.09    -0.06   0.08   0.01
    10   6     0.02   0.03  -0.07     0.01  -0.00  -0.06    -0.02  -0.07  -0.04
    11   6     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.02   0.00  -0.01
    12   1    -0.06   0.10  -0.18    -0.08   0.51  -0.22     0.01  -0.40  -0.05
    13   1     0.15   0.09   0.13     0.10  -0.06   0.14     0.10  -0.39   0.18
    14   1    -0.40   0.46  -0.14     0.33  -0.11   0.02    -0.03  -0.10   0.04
    15   1     0.20   0.07   0.25     0.31   0.09   0.31     0.33   0.04   0.38
    16   1    -0.13   0.09  -0.17    -0.26   0.00  -0.26    -0.09  -0.02  -0.07
    17   1     0.11   0.08  -0.20    -0.05  -0.14   0.05    -0.07  -0.04   0.14
    18   1     0.14  -0.05  -0.04    -0.01   0.12  -0.12    -0.10  -0.09   0.16
    19   1     0.00  -0.16   0.19    -0.10  -0.06  -0.06     0.02   0.01   0.00
    20   1     0.04  -0.07   0.07    -0.12   0.07   0.04     0.11   0.02  -0.21
    21   1    -0.18   0.11   0.21     0.04  -0.08  -0.07     0.13   0.12  -0.09
    22   1     0.10   0.00   0.03    -0.07  -0.03  -0.06    -0.15   0.15   0.17
    23   1    -0.06   0.00  -0.02     0.07   0.01   0.02    -0.13  -0.03   0.02
    24   1    -0.19   0.00  -0.02     0.20   0.04   0.00    -0.14  -0.03  -0.02
    25   1    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.03   0.01  -0.01
    26   1    -0.01  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.02   0.00
    27   1     0.00  -0.01  -0.02    -0.00   0.01   0.02     0.00  -0.03  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.8670              1271.0663              1280.9407
 Red. masses --      1.5291                 1.6941                 1.8649
 Frc consts  --      1.4119                 1.6126                 1.8028
 IR Inten    --     16.9308                93.1773                38.4718
 RamAct Fr= 1--     27.4025                55.8272                 1.9774
  Dep-P Fr= 1--      0.3738                 0.2576                 0.5196
  Dep-U Fr= 1--      0.5442                 0.4097                 0.6839
 Alpha2 Fr= 1--      0.2223                 0.6477                 0.0089
 Beta2  Fr= 1--      2.4854                 3.8118                 0.2254
 AlphaG Fr= 1--      0.0500                -0.0651                -0.0229
 Gamma2 Fr= 1--      2.1203                 0.5006                 0.2585
 Delta2 Fr= 1--     -0.3019                 0.4265                 0.3355
 Raman1 Fr= 1--     109.610                223.309                  7.910
 ROA1   Fr= 1--     193.884                 61.701                 35.553
 CID1   Fr= 1--       1.769                  0.276                  4.495
 Raman2 Fr= 1--      29.825                 45.742                  2.705
 ROA2   Fr= 1--      53.301                  8.602                  3.521
 CID2   Fr= 1--       1.787                  0.188                  1.302
 Raman3 Fr= 1--      59.650                 91.483                  5.409
 ROA3   Fr= 1--     193.884                 61.701                 35.553
 CID3   Fr= 1--       3.250                  0.674                  6.573
 RC180  Fr= 1--       0.088                 -0.181                  0.368
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02     0.01  -0.00  -0.01    -0.03   0.01   0.01
     2   6    -0.02  -0.03  -0.03    -0.04   0.01   0.03     0.08  -0.02  -0.03
     3   6     0.09   0.01  -0.06    -0.04  -0.04   0.05     0.00   0.04  -0.07
     4   6     0.02   0.03   0.05    -0.01  -0.02  -0.04    -0.01   0.01   0.02
     5   6     0.05  -0.00  -0.03     0.03  -0.01  -0.04     0.04  -0.02  -0.06
     6   6    -0.04   0.01   0.05    -0.13   0.04   0.14    -0.12   0.04   0.14
     7   8    -0.01  -0.01  -0.02     0.03  -0.00  -0.02     0.02  -0.01  -0.02
     8   6    -0.00   0.01   0.00     0.01   0.00  -0.01    -0.03   0.00   0.00
     9   6     0.05  -0.04   0.02     0.03   0.01  -0.00    -0.04  -0.02   0.00
    10   6    -0.12  -0.01   0.00    -0.05  -0.01  -0.07     0.08   0.03   0.10
    11   6     0.03   0.00  -0.01     0.04   0.00  -0.01     0.05   0.00  -0.02
    12   1     0.04   0.04   0.09     0.03   0.03   0.06    -0.03  -0.04  -0.08
    13   1    -0.12   0.47  -0.17    -0.02  -0.07  -0.01     0.03   0.14  -0.00
    14   1    -0.22  -0.27   0.04     0.02   0.35  -0.08     0.01  -0.39   0.07
    15   1     0.31   0.25   0.14     0.12   0.05   0.13    -0.23  -0.08  -0.23
    16   1     0.21  -0.07   0.23     0.34   0.19   0.28    -0.43  -0.22  -0.36
    17   1    -0.01  -0.06   0.00    -0.00   0.03   0.02     0.02  -0.01  -0.06
    18   1     0.02   0.06  -0.08    -0.03   0.01  -0.00     0.06  -0.04   0.01
    19   1    -0.04  -0.03  -0.02     0.01   0.04  -0.03     0.00  -0.07   0.08
    20   1    -0.03   0.01   0.02    -0.00   0.00   0.00     0.02  -0.02   0.01
    21   1    -0.02  -0.01   0.01     0.01  -0.03  -0.02    -0.04   0.05   0.05
    22   1    -0.01  -0.01  -0.02     0.01  -0.02  -0.03     0.01   0.03   0.04
    23   1    -0.32  -0.07   0.05     0.15   0.03  -0.05    -0.12  -0.03   0.03
    24   1    -0.34  -0.09  -0.03     0.61   0.11  -0.05     0.30   0.01  -0.05
    25   1    -0.04   0.02  -0.01    -0.05   0.03  -0.11    -0.06   0.03  -0.11
    26   1    -0.04  -0.03   0.01    -0.03  -0.11  -0.05    -0.03  -0.12  -0.05
    27   1     0.01  -0.04  -0.09    -0.01  -0.13  -0.28    -0.00  -0.11  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1289.9519              1303.8882              1337.3784
 Red. masses --      2.0363                 1.9694                 1.3621
 Frc consts  --      1.9964                 1.9727                 1.4354
 IR Inten    --      7.9247                11.5479                 0.5005
 RamAct Fr= 1--      8.4766                 1.5720                33.9995
  Dep-P Fr= 1--      0.5286                 0.3391                 0.2738
  Dep-U Fr= 1--      0.6916                 0.5065                 0.4299
 Alpha2 Fr= 1--      0.0364                 0.0143                 0.3766
 Beta2  Fr= 1--      0.9771                 0.1327                 2.4359
 AlphaG Fr= 1--     -0.1047                -0.0088                 0.0126
 Gamma2 Fr= 1--     -4.8638                 0.1006                 0.7589
 Delta2 Fr= 1--     -5.6681                -0.2794                 0.1472
 Raman1 Fr= 1--      33.907                  6.288                135.998
 ROA1   Fr= 1--    -648.306                  0.716                 77.567
 CID1   Fr= 1--     -19.120                  0.114                  0.570
 Raman2 Fr= 1--      11.725                  1.592                 29.231
 ROA2   Fr= 1--     -71.387                  4.649                 17.037
 CID2   Fr= 1--      -6.088                  2.920                  0.583
 Raman3 Fr= 1--      23.450                  3.185                 58.461
 ROA3   Fr= 1--    -648.306                  0.716                 77.567
 CID3   Fr= 1--     -27.647                  0.225                  1.327
 RC180  Fr= 1--       0.383                  0.013                 -0.140
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.02    -0.03  -0.01   0.04    -0.00   0.01  -0.00
     2   6    -0.06   0.20   0.07     0.11   0.08  -0.18     0.01  -0.00  -0.02
     3   6     0.01  -0.07  -0.01    -0.03   0.02   0.08    -0.03   0.00   0.02
     4   6     0.02   0.02   0.02    -0.02  -0.02  -0.07    -0.01   0.04   0.10
     5   6     0.03  -0.00  -0.01    -0.06   0.00   0.04     0.00  -0.05  -0.12
     6   6    -0.01   0.00   0.02     0.04  -0.01  -0.04    -0.02   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.01
     8   6     0.01  -0.07  -0.01    -0.02  -0.04   0.04    -0.00  -0.00   0.00
     9   6     0.01  -0.16   0.01    -0.01  -0.08   0.04    -0.00  -0.00   0.00
    10   6     0.04   0.04   0.02    -0.02  -0.01  -0.00     0.00  -0.00  -0.01
    11   6     0.01   0.00  -0.00    -0.02  -0.00   0.01     0.00   0.01   0.01
    12   1    -0.10   0.56  -0.16    -0.01  -0.02  -0.08    -0.00  -0.01   0.02
    13   1    -0.07   0.22  -0.11    -0.09   0.62  -0.17     0.02   0.06  -0.00
    14   1    -0.11   0.36  -0.15    -0.02  -0.11   0.12     0.23   0.04   0.01
    15   1    -0.19  -0.08  -0.12    -0.10  -0.05  -0.06    -0.02  -0.01  -0.04
    16   1    -0.10  -0.08  -0.12     0.21   0.05   0.18     0.04   0.05   0.04
    17   1    -0.04   0.11   0.16    -0.04  -0.11   0.02    -0.03  -0.02   0.02
    18   1    -0.16  -0.02   0.09     0.04  -0.06   0.06    -0.00  -0.01   0.03
    19   1     0.08   0.16  -0.09    -0.04  -0.14   0.11    -0.00  -0.05   0.03
    20   1     0.09  -0.01  -0.16    -0.06   0.08  -0.09    -0.02   0.01   0.01
    21   1     0.10   0.10  -0.06     0.05   0.12   0.02    -0.00   0.01   0.01
    22   1    -0.02   0.06   0.08    -0.17   0.14   0.13    -0.02   0.01   0.01
    23   1    -0.14   0.01   0.01     0.25   0.00  -0.06     0.76   0.19   0.12
    24   1    -0.20  -0.01  -0.03     0.34   0.08   0.04    -0.46  -0.14  -0.12
    25   1    -0.02   0.01  -0.00     0.04  -0.02   0.03     0.01   0.00  -0.07
    26   1    -0.01  -0.02   0.00     0.03   0.04   0.00     0.02  -0.05  -0.04
    27   1     0.00  -0.01  -0.03    -0.01   0.03   0.07    -0.02  -0.05  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.7826              1389.0310              1405.6719
 Red. masses --      1.4893                 1.3438                 1.2754
 Frc consts  --      1.6657                 1.5276                 1.4848
 IR Inten    --     11.2261                36.5652                 8.8928
 RamAct Fr= 1--      3.3349                 0.7190                 1.4321
  Dep-P Fr= 1--      0.1824                 0.6513                 0.4605
  Dep-U Fr= 1--      0.3086                 0.7888                 0.6306
 Alpha2 Fr= 1--      0.0474                 0.0013                 0.0084
 Beta2  Fr= 1--      0.1715                 0.0945                 0.1505
 AlphaG Fr= 1--      0.0172                 0.0001                -0.0137
 Gamma2 Fr= 1--     -0.2196                -0.1985                -0.4627
 Delta2 Fr= 1--      0.4800                 0.1294                -0.0641
 Raman1 Fr= 1--      13.339                  2.876                  5.728
 ROA1   Fr= 1--      -5.721                -14.916                -46.469
 CID1   Fr= 1--      -0.429                 -5.186                 -8.112
 Raman2 Fr= 1--       2.058                  1.134                  1.806
 ROA2   Fr= 1--      -9.111                 -5.799                -10.591
 CID2   Fr= 1--      -4.427                 -5.112                 -5.864
 Raman3 Fr= 1--       4.116                  2.269                  3.612
 ROA3   Fr= 1--      -5.721                -14.916                -46.469
 CID3   Fr= 1--      -1.390                 -6.575                -12.864
 RC180  Fr= 1--      -0.383                  0.578                  0.261
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.03  -0.06   0.07
     2   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02   0.01  -0.03
     3   6    -0.14  -0.03   0.00     0.03   0.01  -0.00    -0.02  -0.00   0.01
     4   6     0.03   0.01   0.01    -0.01   0.00   0.01     0.00   0.00   0.00
     5   6     0.10   0.03   0.02    -0.01  -0.02  -0.04     0.00  -0.00  -0.00
     6   6    -0.02   0.01   0.03    -0.04   0.01   0.05     0.00  -0.00  -0.00
     7   8    -0.02  -0.01  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.08   0.04   0.07
     9   6     0.00  -0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    10   6     0.01   0.00  -0.02    -0.00  -0.00   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04     0.03  -0.06  -0.14     0.00   0.00   0.00
    12   1     0.01  -0.01   0.01    -0.00   0.00   0.00    -0.00  -0.02  -0.02
    13   1     0.02   0.08   0.00    -0.00  -0.01   0.00    -0.00   0.05  -0.01
    14   1     0.75   0.11  -0.06    -0.15  -0.02   0.01     0.07  -0.01   0.01
    15   1    -0.05  -0.03  -0.06     0.01   0.01   0.01    -0.02  -0.02   0.02
    16   1     0.09   0.12   0.07    -0.02  -0.02  -0.02     0.02  -0.01   0.01
    17   1    -0.03  -0.07  -0.02     0.01   0.02   0.00     0.25   0.22  -0.18
    18   1     0.05  -0.05   0.05    -0.02   0.01  -0.01     0.04   0.15  -0.36
    19   1    -0.01  -0.07   0.06    -0.00   0.01  -0.01     0.00   0.31  -0.15
    20   1    -0.04   0.01   0.02     0.01  -0.01  -0.00     0.39  -0.05  -0.18
    21   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.17  -0.13  -0.38
    22   1    -0.02   0.02   0.02     0.01  -0.01  -0.00     0.25  -0.31  -0.13
    23   1    -0.42  -0.07  -0.01     0.19   0.04   0.02     0.02  -0.00   0.01
    24   1    -0.24  -0.03   0.03     0.10   0.00  -0.04    -0.02  -0.01  -0.00
    25   1    -0.08   0.01   0.13    -0.11  -0.04   0.57    -0.00   0.00  -0.01
    26   1    -0.09   0.06   0.11    -0.19   0.39   0.38    -0.00  -0.01  -0.00
    27   1     0.05   0.06   0.11     0.12   0.20   0.41     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.8678              1471.5776              1480.1373
 Red. masses --      1.2269                 1.0569                 1.0473
 Frc consts  --      1.4635                 1.3485                 1.3518
 IR Inten    --      3.3028                 9.8168                 9.7577
 RamAct Fr= 1--      1.0685                 3.2682                 4.4771
  Dep-P Fr= 1--      0.7287                 0.7389                 0.7500
  Dep-U Fr= 1--      0.8430                 0.8498                 0.8571
 Alpha2 Fr= 1--      0.0004                 0.0006                 0.0000
 Beta2  Fr= 1--      0.1501                 0.4629                 0.6396
 AlphaG Fr= 1--     -0.0015                -0.0029                 0.0006
 Gamma2 Fr= 1--     -0.0057                -0.3629                 1.6740
 Delta2 Fr= 1--     -0.0530                -0.2272                 1.2781
 Raman1 Fr= 1--       4.274                 13.073                 17.909
 ROA1   Fr= 1--      -2.238                -42.110                201.598
 CID1   Fr= 1--      -0.524                 -3.221                 11.257
 Raman2 Fr= 1--       1.802                  5.555                  7.675
 ROA2   Fr= 1--       0.288                 -6.892                 29.950
 CID2   Fr= 1--       0.160                 -1.241                  3.902
 Raman3 Fr= 1--       3.603                 11.110                 15.350
 ROA3   Fr= 1--      -2.238                -42.110                201.598
 CID3   Fr= 1--      -0.621                 -3.790                 13.133
 RC180  Fr= 1--       0.686                  0.700                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.07  -0.07     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.01   0.02     0.00  -0.02   0.01
     7   8     0.00   0.00   0.00    -0.02  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6     0.01  -0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00   0.00    -0.05  -0.01   0.01     0.01  -0.05   0.02
    12   1    -0.00   0.02  -0.06    -0.00   0.00   0.01    -0.00   0.00   0.01
    13   1    -0.06   0.01  -0.03     0.01   0.00   0.00     0.01   0.00   0.00
    14   1    -0.06   0.02  -0.01     0.03   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.01   0.02     0.01   0.01  -0.02    -0.01  -0.01   0.02
    16   1     0.01  -0.03  -0.00    -0.01   0.02  -0.00     0.01  -0.02  -0.00
    17   1    -0.28  -0.29   0.17     0.00   0.01   0.00    -0.03   0.00   0.03
    18   1     0.00  -0.19   0.40    -0.01   0.01  -0.01     0.04  -0.01  -0.03
    19   1    -0.01  -0.34   0.17    -0.00  -0.01   0.00     0.05   0.02   0.04
    20   1     0.36  -0.07  -0.12     0.00  -0.01   0.01     0.01   0.01  -0.03
    21   1     0.12  -0.16  -0.32     0.00  -0.00  -0.00    -0.02  -0.01   0.02
    22   1     0.22  -0.26  -0.12     0.00   0.01   0.01    -0.03  -0.02  -0.03
    23   1    -0.00   0.01  -0.01    -0.05  -0.01   0.00     0.00  -0.00   0.00
    24   1     0.02   0.01  -0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    25   1     0.01  -0.00   0.00     0.53  -0.17   0.30    -0.42   0.08   0.21
    26   1     0.01   0.01  -0.00     0.41   0.49   0.02     0.40   0.03  -0.26
    27   1    -0.00  -0.00  -0.00    -0.11  -0.18  -0.38    -0.12   0.65  -0.28
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1638              1485.1971              1492.4537
 Red. masses --      1.0673                 1.0452                 1.0649
 Frc consts  --      1.3834                 1.3583                 1.3975
 IR Inten    --      1.3267                 1.5347                 6.0018
 RamAct Fr= 1--      6.6871                10.0680                 6.4292
  Dep-P Fr= 1--      0.7023                 0.7166                 0.7404
  Dep-U Fr= 1--      0.8251                 0.8349                 0.8508
 Alpha2 Fr= 1--      0.0055                 0.0058                 0.0011
 Beta2  Fr= 1--      0.9196                 1.4009                 0.9117
 AlphaG Fr= 1--     -0.0275                 0.0117                 0.0083
 Gamma2 Fr= 1--     -1.9834                -1.2856                 1.6181
 Delta2 Fr= 1--     -0.7650                -0.2350                 0.7881
 Raman1 Fr= 1--      26.749                 40.272                 25.717
 ROA1   Fr= 1--    -214.883               -130.941                180.554
 CID1   Fr= 1--      -8.033                 -3.251                  7.021
 Raman2 Fr= 1--      11.036                 16.811                 10.940
 ROA2   Fr= 1--     -41.481                -28.975                 32.529
 CID2   Fr= 1--      -3.759                 -1.724                  2.973
 Raman3 Fr= 1--      22.071                 33.622                 21.880
 ROA3   Fr= 1--    -214.883               -130.941                180.554
 CID3   Fr= 1--      -9.736                 -3.895                  8.252
 RC180  Fr= 1--       0.650                  0.670                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.01   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.01   0.03    -0.00  -0.02   0.01
     9   6    -0.02  -0.01  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    12   1    -0.04   0.10   0.36    -0.00   0.00   0.00     0.02  -0.04  -0.22
    13   1     0.35   0.06   0.12     0.00  -0.00   0.01    -0.22  -0.07  -0.07
    14   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.18   0.27    -0.01  -0.01   0.03     0.17   0.20  -0.30
    16   1     0.15  -0.33  -0.01     0.01  -0.03  -0.01    -0.17   0.36   0.01
    17   1    -0.00  -0.26  -0.17    -0.20  -0.06   0.21     0.02  -0.34  -0.25
    18   1     0.21  -0.15   0.09     0.36  -0.10  -0.21     0.29  -0.20   0.10
    19   1    -0.04   0.15  -0.12     0.37   0.22   0.26    -0.05   0.23  -0.17
    20   1    -0.19   0.14  -0.10     0.09   0.16  -0.31    -0.15   0.13  -0.12
    21   1     0.14   0.31  -0.03    -0.17  -0.09   0.23     0.11   0.26  -0.00
    22   1     0.19  -0.09   0.02    -0.33  -0.17  -0.31     0.15  -0.10  -0.01
    23   1    -0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.02  -0.01   0.00     0.05  -0.01  -0.02    -0.01   0.00   0.01
    26   1     0.00   0.01   0.00    -0.04   0.01   0.03     0.01   0.00  -0.01
    27   1    -0.00  -0.01  -0.01     0.01  -0.07   0.03    -0.00   0.02  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9772              1505.3942              1509.0072
 Red. masses --      1.0905                 1.0666                 1.0665
 Frc consts  --      1.4494                 1.4241                 1.4308
 IR Inten    --      3.7765                 9.3533                 6.0435
 RamAct Fr= 1--      9.5258                 6.6056                 0.4398
  Dep-P Fr= 1--      0.6045                 0.6946                 0.3726
  Dep-U Fr= 1--      0.7535                 0.8198                 0.5429
 Alpha2 Fr= 1--      0.0256                 0.0064                 0.0036
 Beta2  Fr= 1--      1.1963                 0.9025                 0.0398
 AlphaG Fr= 1--     -0.0065                -0.0222                -0.0047
 Gamma2 Fr= 1--     -0.9097                -0.4809                -0.2154
 Delta2 Fr= 1--      0.2243                 1.2582                 0.0437
 Raman1 Fr= 1--      38.103                 26.423                  1.759
 ROA1   Fr= 1--     -80.153                 -5.905                -19.281
 CID1   Fr= 1--      -2.104                 -0.224                -10.961
 Raman2 Fr= 1--      14.355                 10.830                  0.478
 ROA2   Fr= 1--     -23.627                -21.607                 -5.520
 CID2   Fr= 1--      -1.646                 -1.995                -11.559
 Raman3 Fr= 1--      28.710                 21.660                  0.955
 ROA3   Fr= 1--     -80.153                 -5.905                -19.281
 CID3   Fr= 1--      -2.792                 -0.273                -20.188
 RC180  Fr= 1--       0.507                  0.640                  0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.01  -0.02     0.02   0.02   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.02    -0.00   0.02  -0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.05   0.12   0.36    -0.03   0.06   0.24     0.04  -0.06  -0.25
    13   1     0.36   0.09   0.12     0.24   0.06   0.08    -0.25  -0.07  -0.08
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.13  -0.20     0.13   0.14  -0.21    -0.07  -0.08   0.13
    16   1    -0.11   0.25   0.01    -0.12   0.27   0.01     0.07  -0.15  -0.00
    17   1    -0.09  -0.15   0.02    -0.08   0.29   0.28    -0.17   0.03   0.23
    18   1     0.24  -0.11  -0.05    -0.19   0.16  -0.13     0.23  -0.02  -0.22
    19   1     0.14   0.17   0.05     0.13  -0.19   0.23     0.32   0.13   0.25
    20   1     0.16  -0.26   0.31    -0.19   0.19  -0.16    -0.17  -0.11   0.28
    21   1    -0.03  -0.30  -0.16     0.17   0.35  -0.04     0.18   0.14  -0.21
    22   1    -0.01   0.22   0.19     0.24  -0.18  -0.02     0.33   0.15   0.29
    23   1     0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01     0.01  -0.00   0.00
    26   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00    -0.01   0.00   0.01
    27   1     0.00   0.00   0.01     0.00  -0.00   0.01     0.00  -0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.3405              1736.6947              3021.4584
 Red. masses --      5.8293                 9.9153                 1.0347
 Frc consts  --      9.8714                17.6198                 5.5652
 IR Inten    --     64.9537               287.7338                25.3744
 RamAct Fr= 1--    560.6394               325.5336                40.2317
  Dep-P Fr= 1--      0.2873                 0.3227                 0.0877
  Dep-U Fr= 1--      0.4464                 0.4880                 0.1612
 Alpha2 Fr= 1--      5.9704                 3.1158                 0.7259
 Beta2  Fr= 1--     41.7104                26.4748                 1.0810
 AlphaG Fr= 1--     -0.3367                -0.0796                 0.0221
 Gamma2 Fr= 1--     -5.3945                 1.2424                -2.1491
 Delta2 Fr= 1--      2.1187                -0.2633                -1.6519
 Raman1 Fr= 1--    2242.558               1302.134                160.927
 ROA1   Fr= 1--    -450.071                110.840               -259.173
 CID1   Fr= 1--      -0.201                  0.085                 -1.611
 Raman2 Fr= 1--     500.524                317.697                 12.972
 ROA2   Fr= 1--    -146.416                 31.923                -38.363
 CID2   Fr= 1--      -0.293                  0.100                 -2.957
 Raman3 Fr= 1--    1001.049                635.394                 25.943
 ROA3   Fr= 1--    -450.071                110.840               -259.173
 CID3   Fr= 1--      -0.450                  0.174                 -9.990
 RC180  Fr= 1--      -0.107                 -0.024                 -0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.14   0.14    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.40  -0.14  -0.14    -0.06  -0.03  -0.03     0.00   0.00   0.00
     6   6    -0.00  -0.01  -0.02     0.54   0.27   0.39     0.00  -0.00  -0.00
     7   8     0.05   0.02   0.02    -0.35  -0.18  -0.25    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.02   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.02  -0.03    -0.00   0.00   0.00
    12   1     0.00   0.01   0.01    -0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.22   0.04  -0.02    -0.00   0.00  -0.00    -0.00   0.01   0.02
    15   1     0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01  -0.00
    16   1     0.01   0.04   0.03     0.00   0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.02  -0.01   0.02    -0.00  -0.00  -0.00    -0.24   0.10  -0.16
    18   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.12   0.22   0.13
    19   1     0.01   0.00   0.01    -0.00   0.00  -0.00     0.14  -0.09  -0.13
    20   1    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.21  -0.41  -0.24
    21   1     0.01  -0.01  -0.01     0.00  -0.00  -0.01     0.42  -0.16   0.30
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14   0.30  -0.31
    23   1    -0.54  -0.03   0.16    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.39  -0.01  -0.18     0.30   0.05  -0.01     0.00   0.00   0.00
    25   1     0.04  -0.02   0.00    -0.09   0.02  -0.19    -0.00  -0.00  -0.00
    26   1     0.03   0.03  -0.01    -0.05  -0.17  -0.11    -0.00   0.00  -0.00
    27   1    -0.01   0.00   0.01     0.05   0.13   0.27     0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.8051              3040.4778              3050.4954
 Red. masses --      1.0360                 1.0372                 1.0581
 Frc consts  --      5.5922                 5.6491                 5.8009
 IR Inten    --     25.7045                 4.3117                43.5468
 RamAct Fr= 1--    274.8572               145.6467               147.2701
  Dep-P Fr= 1--      0.0286                 0.0091                 0.1052
  Dep-U Fr= 1--      0.0557                 0.0181                 0.1903
 Alpha2 Fr= 1--      5.7113                 3.1682                 2.5459
 Beta2  Fr= 1--      2.5498                 0.4399                 4.6721
 AlphaG Fr= 1--     -1.1712                -0.6483                -0.0569
 Gamma2 Fr= 1--      3.0270                -0.3691                -1.5049
 Delta2 Fr= 1--     -0.6676                 1.4834                -3.5542
 Raman1 Fr= 1--    1099.429                582.587                589.081
 ROA1   Fr= 1--     269.228                 12.037               -258.205
 CID1   Fr= 1--       0.245                  0.021                 -0.438
 Raman2 Fr= 1--      30.598                  5.278                 56.065
 ROA2   Fr= 1--      77.989                -20.726                 -7.684
 CID2   Fr= 1--       2.549                 -3.927                 -0.137
 Raman3 Fr= 1--      61.196                 10.557                112.130
 ROA3   Fr= 1--     269.228                 12.037               -258.205
 CID3   Fr= 1--       4.399                  1.140                 -2.303
 RC180  Fr= 1--      -0.889                 -0.964                 -0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.03  -0.02  -0.06
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
    12   1    -0.07  -0.01   0.00     0.00   0.00   0.00     0.63   0.09  -0.00
    13   1     0.03  -0.01  -0.07    -0.00   0.00   0.00    -0.30   0.15   0.66
    14   1    -0.00   0.02   0.04    -0.00  -0.00  -0.00    -0.00   0.03   0.08
    15   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.08  -0.11  -0.04
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.04
    17   1     0.45  -0.18   0.30    -0.00   0.00  -0.00     0.04  -0.02   0.03
    18   1    -0.23  -0.41  -0.24     0.00   0.00   0.00    -0.03  -0.05  -0.03
    19   1    -0.27   0.18   0.25     0.00  -0.00  -0.00    -0.01   0.01   0.01
    20   1    -0.11  -0.21  -0.13     0.00   0.00   0.00    -0.02  -0.04  -0.02
    21   1     0.22  -0.09   0.15    -0.00   0.00  -0.00     0.02  -0.01   0.01
    22   1     0.08   0.17  -0.17    -0.00  -0.00   0.00     0.01   0.03  -0.03
    23   1     0.00  -0.01  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.17   0.62   0.02    -0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00     0.35  -0.34   0.44    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.38  -0.04   0.08     0.00   0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3061.7898              3069.5982              3080.1243
 Red. masses --      1.0783                 1.0674                 1.1018
 Frc consts  --      5.9558                 5.9255                 6.1586
 IR Inten    --     19.1590                23.8673                 2.0379
 RamAct Fr= 1--     34.3733               236.4684                12.4486
  Dep-P Fr= 1--      0.7335                 0.0212                 0.6793
  Dep-U Fr= 1--      0.8463                 0.0415                 0.8090
 Alpha2 Fr= 1--      0.0097                 5.0006                 0.0155
 Beta2  Fr= 1--      4.8482                 1.6344                 1.6785
 AlphaG Fr= 1--     -0.0831                 0.4775                 0.0319
 Gamma2 Fr= 1--     12.4230                -8.4445                 3.6817
 Delta2 Fr= 1--     -1.2724                -8.7612                 2.2019
 Raman1 Fr= 1--     137.493                945.874                 49.794
 ROA1   Fr= 1--    1151.888              -1091.028                423.900
 CID1   Fr= 1--       8.378                 -1.153                  8.513
 Raman2 Fr= 1--      58.178                 19.613                 20.142
 ROA2   Fr= 1--     308.331               -132.578                 70.744
 CID2   Fr= 1--       5.300                 -6.760                  3.512
 Raman3 Fr= 1--     116.356                 39.226                 40.285
 ROA3   Fr= 1--    1151.888              -1091.028                423.900
 CID3   Fr= 1--       9.900                -27.814                 10.523
 RC180  Fr= 1--       0.693                 -0.917                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.04     0.00   0.00   0.01
     4   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00    -0.01   0.01  -0.01     0.04   0.01   0.04
     9   6     0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01   0.00   0.00
    10   6    -0.00  -0.03   0.02     0.01  -0.06   0.02     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.04  -0.01  -0.00     0.06   0.01  -0.00     0.06   0.01   0.00
    13   1    -0.01   0.00   0.02    -0.06   0.03   0.14     0.02  -0.01  -0.04
    14   1     0.02   0.26   0.81    -0.01  -0.14  -0.45    -0.00  -0.02  -0.07
    15   1    -0.19   0.25   0.09    -0.38   0.52   0.18    -0.03   0.05   0.01
    16   1     0.22   0.08  -0.30     0.31   0.11  -0.41    -0.00  -0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.41  -0.18   0.28
    18   1     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.21   0.40   0.22
    19   1     0.01  -0.01  -0.01    -0.02   0.01   0.02     0.05  -0.04  -0.07
    20   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01    -0.17  -0.36  -0.21
    21   1    -0.05   0.02  -0.03     0.09  -0.03   0.06    -0.37   0.15  -0.25
    22   1    -0.00  -0.00   0.01    -0.02  -0.03   0.03     0.03   0.05  -0.03
    23   1     0.01  -0.03  -0.07    -0.00   0.01   0.02    -0.00   0.01   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.5089              3089.3587              3091.0755
 Red. masses --      1.1011                 1.1019                 1.1068
 Frc consts  --      6.1765                 6.1965                 6.2310
 IR Inten    --     46.3497                21.5361                26.8831
 RamAct Fr= 1--    147.2819                68.0100                60.8935
  Dep-P Fr= 1--      0.7340                 0.7492                 0.6215
  Dep-U Fr= 1--      0.8466                 0.8567                 0.7666
 Alpha2 Fr= 1--      0.0404                 0.0009                 0.1430
 Beta2  Fr= 1--     20.7809                 9.7101                 7.7800
 AlphaG Fr= 1--      0.1383                 0.0138                -0.1632
 Gamma2 Fr= 1--     -9.2635                17.3300               -41.2101
 Delta2 Fr= 1--      5.0967                 4.1084               -21.1239
 Raman1 Fr= 1--     589.128                272.040                243.574
 ROA1   Fr= 1--    -726.202               1795.145              -4632.132
 CID1   Fr= 1--      -1.233                  6.599                -19.017
 Raman2 Fr= 1--     249.370                116.522                 93.361
 ROA2   Fr= 1--    -263.098                383.052               -820.050
 CID2   Fr= 1--      -1.055                  3.287                 -8.784
 Raman3 Fr= 1--     498.741                233.043                186.721
 ROA3   Fr= 1--    -726.202               1795.145              -4632.132
 CID3   Fr= 1--      -1.456                  7.703                -24.808
 RC180  Fr= 1--       0.693                  0.713                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01  -0.03     0.01  -0.01  -0.01     0.01  -0.02  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.05  -0.01  -0.05     0.01   0.07  -0.04    -0.02  -0.03   0.00
     9   6     0.01   0.00  -0.01    -0.02   0.00   0.01    -0.07   0.00   0.04
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.02  -0.01  -0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.11  -0.02  -0.00     0.22   0.03   0.01     0.64   0.10   0.02
    13   1    -0.03   0.02   0.08     0.07  -0.04  -0.18     0.19  -0.10  -0.46
    14   1     0.00   0.01   0.04     0.00   0.02   0.05     0.00   0.01   0.04
    15   1     0.04  -0.05  -0.02     0.02  -0.02  -0.01    -0.15   0.22   0.07
    16   1     0.01   0.01  -0.02    -0.03  -0.01   0.03    -0.13  -0.05   0.17
    17   1     0.38  -0.17   0.26    -0.02   0.01  -0.02    -0.02   0.00  -0.02
    18   1     0.18   0.35   0.19     0.04   0.06   0.04     0.06   0.10   0.06
    19   1     0.07  -0.06  -0.09    -0.11   0.07   0.11    -0.13   0.08   0.12
    20   1     0.18   0.39   0.23    -0.15  -0.28  -0.19     0.10   0.20   0.12
    21   1     0.41  -0.17   0.28     0.25  -0.08   0.16     0.02  -0.02   0.02
    22   1    -0.04  -0.05   0.04    -0.26  -0.52   0.54     0.08   0.17  -0.19
    23   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.2829              3096.6647              3116.9024
 Red. masses --      1.0993                 1.1008                 1.1072
 Frc consts  --      6.2093                 6.2194                 6.3377
 IR Inten    --      9.7706                30.5653                38.1556
 RamAct Fr= 1--     32.8097                66.4485               111.4532
  Dep-P Fr= 1--      0.7468                 0.7497                 0.5730
  Dep-U Fr= 1--      0.8550                 0.8569                 0.7285
 Alpha2 Fr= 1--      0.0018                 0.0004                 0.3716
 Beta2  Fr= 1--      4.6755                 9.4902                13.5331
 AlphaG Fr= 1--     -0.0823                -0.0048                 0.3516
 Gamma2 Fr= 1--     -0.0619                16.1137                29.2860
 Delta2 Fr= 1--     -0.7620                -2.5097                18.0649
 Raman1 Fr= 1--     131.239                265.794                445.813
 ROA1   Fr= 1--     -30.323               1466.601               3389.538
 CID1   Fr= 1--      -0.231                  5.518                  7.603
 Raman2 Fr= 1--      56.106                113.882                162.398
 ROA2   Fr= 1--       4.612                406.805                558.346
 CID2   Fr= 1--       0.082                  3.572                  3.438
 Raman3 Fr= 1--     112.212                227.764                324.796
 ROA3   Fr= 1--     -30.323               1466.601               3389.538
 CID3   Fr= 1--      -0.270                  6.439                 10.436
 RC180  Fr= 1--       0.710                  0.714                  0.457
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.06   0.05     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.00
     9   6     0.00   0.00  -0.00    -0.02   0.00   0.01     0.03  -0.00  -0.02
    10   6    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.06  -0.02  -0.06
    11   6     0.02  -0.08   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.01  -0.00  -0.00     0.18   0.03   0.01    -0.24  -0.04  -0.01
    13   1    -0.00   0.00   0.01     0.07  -0.04  -0.16    -0.10   0.05   0.25
    14   1     0.00  -0.00  -0.00    -0.00   0.01   0.02     0.00   0.02   0.07
    15   1     0.00  -0.00  -0.00    -0.05   0.08   0.02    -0.31   0.45   0.14
    16   1     0.00   0.00  -0.01    -0.06  -0.02   0.07    -0.41  -0.18   0.56
    17   1    -0.01   0.00  -0.01     0.16  -0.06   0.13    -0.01   0.00  -0.00
    18   1     0.01   0.02   0.01    -0.19  -0.31  -0.17     0.01   0.01   0.01
    19   1    -0.03   0.02   0.03     0.55  -0.34  -0.52    -0.02   0.01   0.02
    20   1     0.00   0.00   0.00    -0.02  -0.03  -0.02    -0.01  -0.02  -0.02
    21   1    -0.00   0.00  -0.00     0.04  -0.01   0.02     0.01  -0.00   0.01
    22   1     0.00   0.01  -0.01    -0.03  -0.06   0.06    -0.03  -0.05   0.06
    23   1     0.00  -0.00  -0.01    -0.01   0.03   0.08     0.01  -0.04  -0.10
    24   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.20   0.68   0.04     0.01   0.04   0.00    -0.00   0.00   0.00
    26   1    -0.39   0.34  -0.47    -0.02   0.02  -0.03    -0.00   0.00  -0.00
    27   1    -0.01  -0.02   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.4068              3146.1764              3158.7765
 Red. masses --      1.0888                 1.1008                 1.0883
 Frc consts  --      6.3226                 6.4201                 6.3980
 IR Inten    --     12.0967                10.3980                 9.9823
 RamAct Fr= 1--     61.2318                85.2787                54.8143
  Dep-P Fr= 1--      0.1905                 0.6193                 0.2232
  Dep-U Fr= 1--      0.3201                 0.7649                 0.3650
 Alpha2 Fr= 1--      0.8525                 0.2039                 0.6994
 Beta2  Fr= 1--      3.2667                10.8719                 3.3345
 AlphaG Fr= 1--     -0.3326                 0.0766                 0.4656
 Gamma2 Fr= 1--     -1.6293                 1.3406                 2.3848
 Delta2 Fr= 1--      0.1258                 1.5375                 1.0890
 Raman1 Fr= 1--     244.927                341.115                219.257
 ROA1   Fr= 1--    -152.390                177.902                263.791
 CID1   Fr= 1--      -0.622                  0.522                  1.203
 Raman2 Fr= 1--      39.201                130.463                 40.014
 ROA2   Fr= 1--     -40.110                 19.875                 48.524
 CID2   Fr= 1--      -1.023                  0.152                  1.213
 Raman3 Fr= 1--      78.401                260.927                 80.027
 ROA3   Fr= 1--    -152.390                177.902                263.791
 CID3   Fr= 1--      -1.944                  0.682                  3.296
 RC180  Fr= 1--      -0.360                  0.530                 -0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.03  -0.07     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     5   6     0.00   0.01   0.02     0.00   0.00   0.01     0.00  -0.03  -0.08
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.01   0.00  -0.00    -0.09  -0.02   0.00    -0.00  -0.00   0.00
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   1    -0.02   0.01   0.04    -0.00   0.00   0.01    -0.00   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.04
    15   1    -0.03   0.05   0.02    -0.00   0.01   0.00    -0.00   0.01   0.00
    16   1    -0.03  -0.01   0.04    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.06   0.03   0.05    -0.01   0.01   0.01    -0.01   0.01   0.01
    20   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.09   0.36   0.87    -0.01   0.06   0.13    -0.02   0.08   0.19
    24   1     0.01  -0.08  -0.18     0.01  -0.03  -0.08    -0.06   0.38   0.89
    25   1    -0.00  -0.02  -0.00     0.06   0.26   0.01     0.00   0.01   0.00
    26   1    -0.01   0.01  -0.02     0.13  -0.14   0.18     0.01  -0.01   0.01
    27   1    -0.15  -0.01   0.04     0.88   0.08  -0.20     0.04   0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   822.245333556.796303632.79357
           X            0.99977  -0.01240  -0.01744
           Y            0.01269   0.99978   0.01688
           Z            0.01723  -0.01710   0.99971
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10534     0.02435     0.02384
 Rotational constants (GHZ):           2.19489     0.50741     0.49679
 Zero-point vibrational energy     622135.1 (Joules/Mol)
                                  148.69385 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.50    88.44   106.17   179.38   218.24
          (Kelvin)            223.31   315.21   348.53   387.03   402.27
                              478.22   509.81   533.88   578.88   643.11
                              775.57   804.62   847.84   906.76  1050.43
                             1155.84  1213.15  1251.47  1285.04  1303.37
                             1362.04  1376.39  1404.07  1419.00  1460.47
                             1472.29  1491.79  1507.98  1512.27  1662.22
                             1719.52  1733.43  1766.32  1787.21  1801.16
                             1828.78  1842.99  1855.95  1876.00  1924.19
                             1982.32  1998.51  2022.45  2047.19  2117.27
                             2129.59  2133.94  2136.87  2147.31  2161.01
                             2165.93  2171.12  2439.22  2498.72  4347.20
                             4354.90  4374.57  4388.98  4405.23  4416.47
                             4431.61  4439.36  4444.90  4447.37  4454.86
                             4455.41  4484.53  4516.91  4526.65  4544.77
 
 Zero-point correction=                           0.236959 (Hartree/Particle)
 Thermal correction to Energy=                    0.249458
 Thermal correction to Enthalpy=                  0.250402
 Thermal correction to Gibbs Free Energy=         0.197971
 Sum of electronic and zero-point Energies=           -465.873446
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912433
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.537             46.448            110.350
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.742
 Vibrational            154.760             40.487             38.640
 Vibration     1          0.594              1.981              5.331
 Vibration     2          0.597              1.973              4.409
 Vibration     3          0.599              1.966              4.050
 Vibration     4          0.610              1.928              3.027
 Vibration     5          0.619              1.901              2.651
 Vibration     6          0.620              1.897              2.607
 Vibration     7          0.647              1.812              1.967
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.673              1.730              1.603
 Vibration    10          0.680              1.711              1.536
 Vibration    11          0.714              1.611              1.248
 Vibration    12          0.730              1.566              1.147
 Vibration    13          0.743              1.532              1.075
 Vibration    14          0.768              1.465              0.954
 Vibration    15          0.806              1.368              0.805
 Vibration    16          0.894              1.164              0.567
 Vibration    17          0.915              1.120              0.525
 Vibration    18          0.947              1.055              0.468
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.870030D-91        -91.060466       -209.674471
 Total V=0       0.856814D+18         17.932887         41.291998
 Vib (Bot)       0.101112-104       -104.995196       -241.760373
 Vib (Bot)    1  0.536439D+01          0.729521          1.679783
 Vib (Bot)    2  0.335883D+01          0.526188          1.211594
 Vib (Bot)    3  0.279335D+01          0.446126          1.027242
 Vib (Bot)    4  0.163727D+01          0.214121          0.493032
 Vib (Bot)    5  0.133610D+01          0.125838          0.289752
 Vib (Bot)    6  0.130444D+01          0.115425          0.265776
 Vib (Bot)    7  0.903208D+00         -0.044212         -0.101802
 Vib (Bot)    8  0.808607D+00         -0.092262         -0.212442
 Vib (Bot)    9  0.718810D+00         -0.143386         -0.330158
 Vib (Bot)   10  0.687807D+00         -0.162533         -0.374247
 Vib (Bot)   11  0.561322D+00         -0.250788         -0.577460
 Vib (Bot)   12  0.519222D+00         -0.284647         -0.655424
 Vib (Bot)   13  0.490277D+00         -0.309559         -0.712785
 Vib (Bot)   14  0.442236D+00         -0.354346         -0.815912
 Vib (Bot)   15  0.384589D+00         -0.415004         -0.955581
 Vib (Bot)   16  0.294181D+00         -0.531385         -1.223559
 Vib (Bot)   17  0.278123D+00         -0.555763         -1.279690
 Vib (Bot)   18  0.256186D+00         -0.591445         -1.361853
 Vib (V=0)       0.995765D+04          3.998157          9.206096
 Vib (V=0)    1  0.588764D+01          0.769942          1.772856
 Vib (V=0)    2  0.389584D+01          0.590602          1.359910
 Vib (V=0)    3  0.333775D+01          0.523454          1.205296
 Vib (V=0)    4  0.221192D+01          0.344769          0.793860
 Vib (V=0)    5  0.192659D+01          0.284789          0.655750
 Vib (V=0)    6  0.189699D+01          0.278064          0.640266
 Vib (V=0)    7  0.153237D+01          0.185363          0.426815
 Vib (V=0)    8  0.145071D+01          0.161580          0.372052
 Vib (V=0)    9  0.137561D+01          0.138495          0.318895
 Vib (V=0)   10  0.135034D+01          0.130443          0.300357
 Vib (V=0)   11  0.125172D+01          0.097507          0.224518
 Vib (V=0)   12  0.122083D+01          0.086654          0.199529
 Vib (V=0)   13  0.120027D+01          0.079277          0.182542
 Vib (V=0)   14  0.116751D+01          0.067261          0.154875
 Vib (V=0)   15  0.113080D+01          0.053386          0.122925
 Vib (V=0)   16  0.108012D+01          0.033473          0.077075
 Vib (V=0)   17  0.107215D+01          0.030254          0.069664
 Vib (V=0)   18  0.106181D+01          0.026047          0.059975
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116680D+07          6.066996         13.969775
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000010965    0.000003526   -0.000010813
      2        6           0.000016793    0.000000254    0.000042509
      3        6          -0.000027443    0.000021782   -0.000034830
      4        6           0.000007155   -0.000024500    0.000006201
      5        6          -0.000004801    0.000003923   -0.000000200
      6        6          -0.000000189   -0.000008067   -0.000002143
      7        8           0.000002207    0.000001575   -0.000001639
      8        6          -0.000003080   -0.000005121   -0.000015391
      9        6          -0.000021396   -0.000008328   -0.000012893
     10        6           0.000016201    0.000007672    0.000018905
     11        6          -0.000003189    0.000000037    0.000011319
     12        1           0.000001910    0.000004236    0.000006469
     13        1           0.000002822    0.000002776    0.000009815
     14        1          -0.000001140    0.000003881    0.000001219
     15        1           0.000003819    0.000002861   -0.000007810
     16        1           0.000006388   -0.000011574   -0.000002855
     17        1           0.000000582   -0.000000013   -0.000001417
     18        1          -0.000002340   -0.000007148    0.000000758
     19        1           0.000001801   -0.000009880   -0.000001226
     20        1          -0.000001305   -0.000001896   -0.000004005
     21        1          -0.000000117    0.000001382    0.000002785
     22        1          -0.000003935    0.000008557    0.000000441
     23        1          -0.000002502    0.000009776    0.000000145
     24        1           0.000004269    0.000004902   -0.000005446
     25        1          -0.000001012    0.000001179   -0.000001464
     26        1          -0.000001853   -0.000000987   -0.000000963
     27        1          -0.000000612   -0.000000807    0.000002530
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042509 RMS     0.000010125
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.175088D+03  0.754988D+01  0.504923D+01
      2   0.754988D+01  0.109926D+03  0.437036D+01
      3   0.504923D+01  0.437036D+01  0.112672D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.962865D+01  0.931570D+01 -0.291084D+01
      2   0.171258D+02 -0.114934D+02  0.146834D+02
      3   0.317178D+02 -0.435244D+02  0.198210D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.807330D+02 -0.462016D+02 -0.245332D+02
      2   0.669412D+02  0.410002D+02 -0.354206D+01
      3   0.137918D+02  0.520138D+01  0.280752D+02
      4  -0.456628D+02  0.990193D+02 -0.412966D+02
      5  -0.234225D+02 -0.466139D+02  0.222467D+02
      6  -0.255436D+02  0.139388D+02 -0.113588D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.297477D+01  0.155246D+01 -0.443552D+01  0.687950D+00  0.102331D+01
      2   0.155246D+01  0.899695D+00  0.386189D+01  0.102331D+01  0.352231D+01
      3  -0.443552D+01  0.386189D+01 -0.580462D+00  0.385821D+01  0.130666D+01
                 6             7             8             9            10 
      1   0.385821D+01 -0.477025D+01  0.392723D+01 -0.397073D+00  0.243624D+02
      2   0.130666D+01  0.392723D+01  0.188672D+01 -0.282892D+00 -0.274467D+01
      3  -0.112268D+01 -0.397073D+00 -0.282892D+00 -0.200141D+01  0.546724D+01
                11            12            13            14            15 
      1  -0.274467D+01  0.546724D+01 -0.716422D+01  0.170623D+01 -0.459119D+01
      2   0.101000D-01 -0.357309D+01  0.170623D+01 -0.480144D+01 -0.243040D+01
      3  -0.357309D+01  0.224134D+00 -0.459119D+01 -0.243040D+01  0.209567D-01
                16            17            18            19            20 
      1   0.200956D+02 -0.468420D+01  0.203957D+01 -0.473674D+02 -0.208751D+01
      2  -0.468420D+01 -0.228273D+01  0.211910D+00 -0.208751D+01 -0.426628D+01
      3   0.203957D+01  0.211910D+00  0.104506D+01 -0.424105D+01  0.119484D+01
                21            22            23            24            25 
      1  -0.424105D+01  0.510606D+01 -0.923623D+01  0.317904D+01 -0.981377D+01
      2   0.119484D+01 -0.923623D+01 -0.203391D+01 -0.611366D+00  0.244784D+01
      3  -0.661483D+00  0.317904D+01 -0.611366D+00  0.307687D+01 -0.918800D+00
                26            27            28            29            30 
      1   0.244784D+01 -0.918800D+00  0.638569D+02  0.611695D+01  0.434533D+01
      2  -0.879748D+00  0.289202D+01  0.611695D+01  0.326365D+01 -0.916572D-01
      3   0.289202D+01  0.378842D+01  0.434533D+01 -0.916572D-01  0.194107D+01
                31            32            33            34            35 
      1   0.135114D+02  0.750205D+01 -0.892466D+00  0.936144D+01 -0.722775D-01
      2   0.750205D+01  0.396581D+01 -0.687876D-01 -0.722775D-01  0.567189D+00
      3  -0.892466D+00 -0.687876D-01 -0.188989D+01  0.395044D+01 -0.181422D+01
                36            37            38            39            40 
      1   0.395044D+01 -0.598493D+02 -0.777685D+01 -0.569076D+01 -0.137574D+02
      2  -0.181422D+01 -0.777685D+01 -0.261776D+01 -0.473300D-02 -0.526257D+01
      3  -0.224647D+01 -0.569076D+01 -0.473300D-02 -0.794516D+00  0.148031D+00
                41            42            43            44            45 
      1  -0.526257D+01  0.148031D+00 -0.846522D+01 -0.120549D+00 -0.311955D+01
      2  -0.287358D+01 -0.235656D+00 -0.120549D+00 -0.690702D+00  0.259062D+01
      3  -0.235656D+00  0.307370D+01 -0.311955D+01  0.259062D+01  0.294884D+01
                46            47            48            49            50 
      1   0.449810D+02  0.794687D+01  0.606233D+01  0.116827D+02  0.204467D+01
      2   0.794687D+01  0.129369D+01  0.154283D+01  0.204467D+01  0.935102D+00
      3   0.606233D+01  0.154283D+01  0.120792D+01  0.231186D+01  0.195411D+00
                51            52            53            54            55 
      1   0.231186D+01  0.770657D+01  0.245568D+01  0.206039D+01 -0.397136D+02
      2   0.195411D+00  0.245568D+01  0.521296D+00 -0.113980D+01 -0.645824D+01
      3  -0.124936D+01  0.206039D+01 -0.113980D+01 -0.245073D+01 -0.571374D+01
                56            57            58            59            60 
      1  -0.645824D+01 -0.571374D+01 -0.156507D+02 -0.688644D+01 -0.145736D+01
      2  -0.247157D+01 -0.115893D+01 -0.688644D+01 -0.412249D+01 -0.213709D+01
      3  -0.115893D+01 -0.281451D+01 -0.145736D+01 -0.213709D+01 -0.691516D+00
                61            62            63            64            65 
      1  -0.227188D+02 -0.346145D+01 -0.601859D+01 -0.871038D+01  0.180660D+01
      2  -0.346145D+01 -0.153172D+01 -0.145807D+01  0.180660D+01  0.615613D+00
      3  -0.601859D+01 -0.145807D+01 -0.427273D+01 -0.321521D+01  0.406280D+01
                66            67            68            69            70 
      1  -0.321521D+01  0.210333D+01 -0.664342D+00  0.400510D+01 -0.862091D+01
      2   0.406280D+01 -0.664342D+00  0.287799D+01  0.343924D+01  0.419919D+01
      3   0.421131D-01  0.400510D+01  0.343924D+01 -0.122010D+01 -0.139569D+01
                71            72            73            74            75 
      1   0.419919D+01 -0.139569D+01 -0.646789D+01 -0.193746D+01 -0.169729D+01
      2   0.310292D+01 -0.432658D+00 -0.193746D+01  0.167350D+01 -0.452344D+00
      3  -0.432658D+00  0.168263D+01 -0.169729D+01 -0.452344D+00  0.274247D+01
                76            77            78            79            80 
      1  -0.196659D+01  0.240088D+01 -0.749726D+00  0.150281D+00 -0.214054D+00
      2   0.240088D+01  0.596596D+01  0.250457D+01 -0.214054D+00  0.204556D+01
      3  -0.749726D+00  0.250457D+01 -0.170853D+01  0.247623D+01 -0.250201D+01
                81            82            83            84            85 
      1   0.247623D+01  0.738407D+01  0.262633D+01  0.101441D+01  0.607586D+01
      2  -0.250201D+01  0.262633D+01  0.482932D+01  0.268086D+01  0.699421D+01
      3  -0.285659D+01  0.101441D+01  0.268086D+01 -0.331177D+01  0.166885D+01
                86            87            88            89            90 
      1   0.699421D+01  0.166885D+01  0.885195D+01  0.535654D+01 -0.370317D+01
      2  -0.163708D+01  0.464123D+00  0.535654D+01  0.640071D+00 -0.174986D+00
      3   0.464123D+00  0.575410D-01 -0.370317D+01 -0.174986D+00  0.476080D+00
                91            92            93            94            95 
      1   0.946278D+01  0.103725D+01 -0.292444D+01  0.216935D+01 -0.130140D+01
      2   0.103725D+01 -0.233684D+01 -0.144323D+00 -0.130140D+01 -0.409856D+01
      3  -0.292444D+01 -0.144323D+00 -0.301181D+01 -0.527024D+00 -0.141019D+01
                96            97            98            99           100 
      1  -0.527024D+00 -0.967639D+00 -0.389622D+00 -0.303177D+01  0.113025D+02
      2  -0.141019D+01 -0.389622D+00 -0.680741D+00  0.209523D+01  0.269716D+01
      3   0.233729D+01 -0.303177D+01  0.209523D+01  0.771678D+00  0.241640D+01
               101           102           103           104           105 
      1   0.269716D+01  0.241640D+01  0.116532D+01  0.159669D+01  0.272936D+00
      2   0.200258D+01  0.653240D+00  0.159669D+01  0.652088D+00  0.224474D+00
      3   0.653240D+00  0.142277D+01  0.272936D+00  0.224474D+00  0.346633D+00
               106           107           108           109           110 
      1   0.591419D+00  0.215458D+00  0.116669D+01 -0.233074D+00  0.566489D+00
      2   0.215458D+00 -0.144548D+00  0.645922D+00  0.566489D+00 -0.962453D+00
      3   0.116669D+01  0.645922D+00  0.105934D+01  0.103671D+01 -0.409573D+00
               111           112           113           114           115 
      1   0.103671D+01  0.187803D+00 -0.141530D+00  0.660213D-01  0.967697D+00
      2  -0.409573D+00 -0.141530D+00  0.736383D+00  0.102639D+01  0.584180D-01
      3  -0.207145D+01  0.660213D-01  0.102639D+01  0.144887D+01 -0.159895D+00
               116           117           118           119           120 
      1   0.584180D-01 -0.159895D+00 -0.572539D-01 -0.458336D+00 -0.666237D+00
      2   0.197255D+01  0.218515D+01 -0.458336D+00  0.318862D+00 -0.137508D+00
      3   0.218515D+01  0.753576D+01 -0.666237D+00 -0.137508D+00 -0.504961D-01
               121           122           123           124           125 
      1  -0.223078D+01  0.407603D+00 -0.317171D-01 -0.104921D+01  0.752440D-01
      2   0.407603D+00 -0.774048D+00 -0.120353D+01  0.752440D-01 -0.123292D+01
      3  -0.317171D-01 -0.120353D+01 -0.171028D+01  0.472656D+00 -0.116536D+01
               126           127           128           129           130 
      1   0.472656D+00 -0.209441D+01  0.165634D+01 -0.976747D-01 -0.183943D+00
      2  -0.116536D+01  0.165634D+01 -0.432155D+01 -0.237316D+00 -0.196143D+01
      3  -0.696025D+01 -0.976747D-01 -0.237316D+00 -0.270237D+00 -0.284691D+00
               131           132           133           134           135 
      1  -0.196143D+01 -0.284691D+00  0.108342D+00 -0.617932D+00  0.222462D+00
      2   0.827476D+01  0.398083D-01 -0.617932D+00  0.149754D+01  0.119312D+01
      3   0.398083D-01  0.890865D+00  0.222462D+00  0.119312D+01  0.271270D+00
               136           137           138           139           140 
      1   0.325423D+01  0.162378D+01 -0.204155D+01 -0.554208D+00  0.843479D+00
      2   0.162378D+01  0.156297D+01 -0.148288D+01  0.843479D+00  0.219481D+01
      3  -0.204155D+01 -0.148288D+01  0.254115D+01 -0.103604D+01 -0.154182D+01
               141           142           143           144           145 
      1  -0.103604D+01 -0.498538D+01 -0.266469D+01  0.302061D+01  0.558361D+01
      2  -0.154182D+01 -0.266469D+01 -0.291126D+01  0.248248D+01 -0.247355D+01
      3   0.127433D+01  0.302061D+01  0.248248D+01 -0.467772D+01  0.334381D+01
               146           147           148           149           150 
      1  -0.247355D+01  0.334381D+01 -0.121520D+01  0.158428D+01 -0.135394D+01
      2   0.249348D+01 -0.222476D+01  0.158428D+01 -0.243289D+01  0.147111D+01
      3  -0.222476D+01  0.331016D+01 -0.135394D+01  0.147111D+01 -0.123026D+01
               151           152           153           154           155 
      1   0.209883D+01 -0.170008D+01  0.244017D+01 -0.125245D+01 -0.149431D+01
      2  -0.170008D+01  0.137655D+01 -0.191215D+01 -0.149431D+01 -0.250199D+01
      3   0.244017D+01 -0.191215D+01  0.381384D+01  0.130227D+00 -0.418625D+00
               156           157           158           159           160 
      1   0.130227D+00 -0.112233D+01 -0.145331D+01 -0.440558D+00 -0.412414D+00
      2  -0.418625D+00 -0.145331D+01 -0.683392D+01 -0.432432D+00 -0.735591D+00
      3  -0.517586D+00 -0.440558D+00 -0.432432D+00 -0.113260D+01 -0.293448D+00
               161           162           163           164           165 
      1  -0.735591D+00 -0.293448D+00 -0.341113D+01  0.710800D+00  0.200789D+01
      2  -0.257128D+01 -0.854887D+00  0.710800D+00 -0.108586D+01 -0.331546D+00
      3  -0.854887D+00 -0.803978D+00  0.200789D+01 -0.331546D+00 -0.240667D+01
               166           167           168           169           170 
      1   0.170819D+01 -0.100347D+01 -0.767967D+00  0.165664D+01 -0.674499D+00
      2  -0.100347D+01  0.710122D+00  0.354180D+00 -0.674499D+00  0.659748D+00
      3  -0.767967D+00  0.354180D+00  0.159999D+01 -0.198269D+01  0.310290D+00
               171           172           173           174           175 
      1  -0.198269D+01 -0.184333D+00 -0.711348D+00 -0.726905D-01 -0.143409D+01
      2   0.310290D+00 -0.711348D+00 -0.198204D+01 -0.123919D+01  0.458659D+00
      3   0.405108D+01 -0.726905D-01 -0.123919D+01 -0.113433D+01 -0.503479D-01
               176           177           178           179           180 
      1   0.458659D+00 -0.503479D-01 -0.752503D-01 -0.221196D+00  0.314305D+00
      2  -0.608868D+01 -0.292203D+01 -0.221196D+00 -0.275348D+01 -0.213273D+01
      3  -0.292203D+01 -0.213602D+01  0.314305D+00 -0.213273D+01 -0.261481D+01
               181           182           183           184           185 
      1   0.911753D+01 -0.309073D+01  0.168556D+01 -0.233868D+01  0.224359D+01
      2  -0.309073D+01  0.176652D+01 -0.834601D+00  0.224359D+01 -0.196546D+01
      3   0.168556D+01 -0.834601D+00  0.140078D+01 -0.775179D+00  0.191711D+00
               186           187           188           189           190 
      1  -0.775179D+00  0.614466D+01 -0.204315D+01  0.183450D+01  0.301636D+01
      2   0.191711D+00 -0.204315D+01  0.116993D+01 -0.683464D+00  0.731155D+00
      3  -0.436742D+00  0.183450D+01 -0.683464D+00  0.150246D+01 -0.136583D+01
               191           192           193           194           195 
      1   0.731155D+00 -0.136583D+01  0.208512D+01  0.786176D+00 -0.184141D+01
      2   0.565405D+00 -0.974213D+00  0.786176D+00  0.207404D+01 -0.170743D+01
      3  -0.974213D+00  0.149791D+01 -0.184141D+01 -0.170743D+01  0.250514D+01
               196           197           198           199           200 
      1  -0.169779D+01 -0.102834D+01  0.248967D+01  0.136247D+01  0.828475D+00
      2  -0.102834D+01 -0.176939D+01  0.142738D+01  0.828475D+00  0.107855D+00
      3   0.248967D+01  0.142738D+01 -0.442073D+01  0.119551D+01 -0.117644D+00
               201           202           203           204           205 
      1   0.119551D+01  0.165810D+01 -0.104435D+01  0.305328D+00  0.161012D+01
      2  -0.117644D+00 -0.104435D+01  0.608320D+00  0.105839D+01  0.469825D+00
      3  -0.482526D+00  0.305328D+00  0.105839D+01  0.158631D+01 -0.338311D+00
               206           207           208           209           210 
      1   0.469825D+00 -0.338311D+00 -0.807363D+00 -0.509749D+00 -0.941959D+00
      2   0.139630D+01  0.156221D+01 -0.509749D+00 -0.680812D-01 -0.234659D-01
      3   0.156221D+01  0.438344D+01 -0.941959D+00 -0.234659D-01  0.456021D-01
               211           212           213           214           215 
      1  -0.936365D+00  0.986880D-01 -0.408253D+00 -0.172860D+01 -0.307113D+00
      2   0.986880D-01 -0.123994D+01 -0.152273D+01 -0.307113D+00 -0.162128D+01
      3  -0.408253D+00 -0.152273D+01 -0.246502D+01 -0.271312D+00 -0.216153D+01
               216           217           218           219           220 
      1  -0.271312D+00 -0.973041D+00  0.626058D+00  0.201647D+00  0.224350D+01
      2  -0.216153D+01  0.626058D+00  0.116124D+01  0.330717D+00 -0.310325D+00
      3  -0.703394D+01  0.201647D+00  0.330717D+00  0.103090D+01 -0.783454D+00
               221           222           223           224           225 
      1  -0.310325D+00 -0.783454D+00  0.115303D+01  0.122582D+00  0.248907D-01
      2   0.722457D+01  0.176344D+01  0.122582D+00  0.517407D+00  0.767943D+00
      3   0.176344D+01  0.184687D+01  0.248907D-01  0.767943D+00  0.802248D+00
               226           227           228           229           230 
      1   0.455643D+00 -0.958011D+00  0.960390D+00 -0.118429D+01  0.566977D+00
      2  -0.958011D+00  0.111728D+01 -0.416262D+00  0.566977D+00 -0.108075D+01
      3   0.960390D+00 -0.416262D+00  0.273898D+01 -0.120234D+00  0.163969D+01
               231           232           233           234           235 
      1  -0.120234D+00  0.285123D+01 -0.434939D+00  0.499377D+00 -0.100430D+02
      2   0.163969D+01 -0.434939D+00  0.142945D+01 -0.141647D+01  0.174036D+00
      3  -0.256553D+01  0.499377D+00 -0.141647D+01  0.506223D+01  0.323649D+01
               236           237           238           239           240 
      1   0.174036D+00  0.323649D+01 -0.645898D+00 -0.992103D+00  0.296188D+00
      2  -0.106733D+01 -0.545213D-01 -0.992103D+00  0.240514D+00  0.544264D+00
      3  -0.545213D-01 -0.203810D+01  0.296188D+00  0.544264D+00 -0.506835D+00
               241           242           243 
      1   0.195742D+01  0.416711D-01 -0.138166D+01
      2   0.416711D-01  0.286557D+00 -0.233039D+00
      3  -0.138166D+01 -0.233039D+00  0.114498D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.646860D+01  0.990844D+01  0.564217D+01  0.929187D+01  0.978716D+01
      2  -0.967723D+01  0.223890D+01  0.791306D+01  0.783229D+01 -0.104861D+00
      3  -0.369257D+01 -0.822690D+01  0.226963D+01 -0.891816D-01 -0.769569D+01
                 6             7             8             9            10 
      1  -0.229955D+01  0.595591D+01  0.497512D+01 -0.541398D+01  0.387106D+01
      2  -0.740680D+01  0.330744D+01 -0.758614D+01 -0.295828D+01  0.226032D+02
      3  -0.922757D+01  0.629700D+00 -0.112587D+02  0.719351D+00  0.116985D+02
                11            12            13            14            15 
      1  -0.526289D+01 -0.182965D+00 -0.634003D+01 -0.645030D+01 -0.532071D+01
      2  -0.866315D+01  0.485528D+01 -0.122608D+02 -0.338490D+01  0.152830D+00
      3  -0.228640D+01  0.790577D+01  0.679579D+01  0.131161D+02  0.983641D+01
                16            17            18            19            20 
      1   0.191775D+01  0.407465D+01 -0.331903D+00  0.237838D+01  0.242291D+01
      2   0.768127D+01  0.113670D+01  0.330764D+01 -0.342684D+02 -0.185581D+01
      3   0.112885D+02  0.100299D+02 -0.684241D+00 -0.181806D+02 -0.372643D+01
                21            22            23            24            25 
      1  -0.133921D+01  0.591729D+01  0.358700D+01 -0.277407D+01 -0.402438D+01
      2  -0.851261D-01  0.679049D+00 -0.757721D+01  0.495859D+01 -0.189409D+02
      3  -0.347148D+01  0.674932D+01 -0.658078D+01  0.267936D+01 -0.422308D+01
                26            27            28            29            30 
      1   0.399541D+01 -0.401873D+01 -0.880914D+01  0.122327D+01 -0.638704D+00
      2   0.282122D+01  0.523039D+00  0.361919D+02  0.577404D+01 -0.179369D+01
      3   0.651044D+00 -0.200893D+01  0.174672D+02  0.774200D+01 -0.185621D+00
                31            32            33            34            35 
      1   0.630683D+01 -0.746102D+00 -0.293148D+01 -0.293604D+01  0.237968D+01
      2   0.143073D+02  0.371261D+01 -0.157847D+00 -0.216774D+02 -0.197545D+01
      3   0.383178D+02  0.966587D+01  0.287001D+01 -0.106293D+01 -0.347138D+00
                36            37            38            39            40 
      1   0.323920D+01  0.885241D+01 -0.262848D+01  0.132336D+01 -0.895490D+01
      2  -0.416387D+00 -0.251176D+02 -0.564392D+01  0.401886D+01 -0.140475D+02
      3   0.350657D+00 -0.233443D+02 -0.115720D+02 -0.529531D+00 -0.369927D+01
                41            42            43            44            45 
      1  -0.355301D+00 -0.737783D+00  0.915272D+01  0.182235D+01 -0.505092D+00
      2  -0.405539D+01 -0.514666D+01 -0.144084D+02 -0.667005D+01 -0.122974D+02
      3  -0.360300D+01  0.191458D+01  0.164708D+01  0.321196D+01  0.375371D+01
                46            47            48            49            50 
      1  -0.683201D+01  0.100340D+02 -0.749913D+00  0.267217D+01 -0.637978D+01
      2   0.839444D+01  0.611509D+01 -0.839087D+01  0.515286D+01  0.239612D+00
      3   0.154459D+02  0.177836D+02  0.347965D+00  0.250631D+02  0.651315D+01
                51            52            53            54            55 
      1  -0.138675D+02  0.311898D+00 -0.253416D+01  0.946235D+01  0.425543D+01
      2  -0.198710D+01 -0.152400D+02  0.104144D+01  0.705526D+01 -0.999924D+01
      3  -0.257610D+01 -0.250672D+00  0.165637D+01 -0.128234D+01 -0.126935D+02
                56            57            58            59            60 
      1  -0.259068D+01 -0.866233D+00  0.431212D+01  0.286306D+01  0.307397D+00
      2  -0.179515D+01  0.176994D+02 -0.638000D+01  0.201764D+01  0.655529D+01
      3  -0.195805D+02 -0.228221D+01 -0.147289D+02 -0.145387D+02 -0.437775D+01
                61            62            63            64            65 
      1   0.838661D+00  0.362665D+01 -0.300067D+01 -0.413409D+01  0.510192D+01
      2  -0.303212D+00  0.178928D+01  0.133682D+02 -0.154569D+02  0.152825D+02
      3  -0.609488D+01 -0.984745D+01 -0.375098D+01 -0.174766D-01 -0.593543D+01
                66            67            68            69            70 
      1  -0.516975D+01  0.715203D+01  0.232053D+01 -0.726912D+01 -0.814093D+01
      2  -0.112186D+01  0.142058D+02  0.122544D+02  0.112713D+00 -0.150149D+02
      3  -0.107820D+02  0.532857D+01 -0.106119D+02 -0.180097D+02 -0.120919D+02
                71            72            73            74            75 
      1  -0.117092D+01  0.401320D+01 -0.125979D+01  0.498531D+01 -0.553859D+01
      2   0.351632D+01  0.645249D+01  0.692639D+01  0.233126D+01  0.131929D+02
      3  -0.164699D+02  0.312068D+01 -0.222302D+01 -0.125343D+02  0.327501D+00
                76            77            78            79            80 
      1   0.164366D+01  0.253976D+01  0.466177D+01 -0.404993D+01  0.942608D+01
      2   0.475879D+00  0.417074D+01 -0.543981D+01  0.542357D+01 -0.800945D+01
      3  -0.551021D+01 -0.141540D+02 -0.942514D+01  0.149083D+01 -0.822852D+01
                81            82            83            84            85 
      1   0.428891D+00 -0.278578D+01 -0.120281D+02  0.837453D+01 -0.128612D+02
      2  -0.119484D+02  0.771952D+01  0.566310D+01 -0.319461D+01  0.819888D+01
      3   0.122053D+02  0.841448D+00 -0.934300D+01 -0.399800D+01  0.407382D+01
                86            87            88            89            90 
      1   0.111950D+01 -0.404842D+01  0.830930D+01  0.260476D+01  0.997834D-02
      2   0.686033D+01  0.166239D+01 -0.241580D+01  0.361301D+01 -0.272524D+01
      3   0.162715D+02  0.481180D+01  0.448994D+00  0.103291D+02 -0.975614D+01
                91            92            93            94            95 
      1   0.195563D+01 -0.628691D+01  0.342704D+01  0.398287D+01 -0.733442D+01
      2   0.274331D+01 -0.979141D+00  0.192256D+02  0.309889D+00  0.953771D+01
      3   0.659764D+01 -0.106059D+02 -0.191500D+01  0.376724D+00 -0.157805D+02
                96            97            98            99           100 
      1  -0.100951D+02 -0.113384D+01  0.238100D+01  0.411195D+01 -0.903772D+00
      2  -0.101412D+02  0.801251D+01 -0.766416D+01  0.223529D+01 -0.420276D+01
      3  -0.595094D+01 -0.132183D+01 -0.717676D+00  0.564936D+01  0.700459D+01
               101           102           103           104           105 
      1   0.177134D+01 -0.198381D+01  0.453147D+00 -0.446565D-02 -0.138845D+01
      2  -0.251594D+00  0.506848D+01 -0.668515D+00 -0.633841D+00  0.107251D+01
      3  -0.609670D+01  0.964227D+00 -0.494082D+00  0.967149D-01  0.466402D+00
               106           107           108           109           110 
      1  -0.106487D+01 -0.400116D-01 -0.756640D+00 -0.788940D+00 -0.165460D+01
      2   0.115159D+01  0.136129D+01  0.233006D+01  0.435148D+01 -0.167848D+01
      3   0.442310D+00  0.491139D+00 -0.376024D+00 -0.231150D+01  0.247074D+01
               111           112           113           114           115 
      1   0.264589D+01 -0.720725D+00 -0.783969D+00 -0.202247D+01  0.659426D+00
      2  -0.654495D+01 -0.799908D+00  0.339743D+01  0.375439D+01 -0.571341D+01
      3   0.241527D+01  0.243336D+01 -0.155441D+01 -0.243547D+01  0.220906D+01
               116           117           118           119           120 
      1   0.185370D+01 -0.768187D+01  0.461435D+00  0.447212D+00  0.116232D+00
      2   0.557618D+01  0.211397D+02 -0.178320D+01 -0.568088D+00  0.481548D+00
      3  -0.436175D+01 -0.622355D+01  0.558831D+00 -0.110195D+01 -0.275180D+00
               121           122           123           124           125 
      1   0.157037D+01  0.208047D+01  0.746344D+00 -0.390477D+00  0.471800D+01
      2  -0.180971D+01 -0.585047D+00 -0.186237D+01 -0.401361D+01 -0.921325D+00
      3   0.184078D+01  0.486893D+00  0.870260D+00 -0.169662D+00  0.483212D+00
               126           127           128           129           130 
      1   0.313754D+01 -0.690144D+00  0.338938D+01  0.205045D+01  0.174921D+01
      2  -0.616381D+01 -0.149623D+01  0.365132D+00  0.385686D+00 -0.960815D+00
      3   0.144386D+01 -0.879665D+01  0.969258D+01  0.398098D+00  0.914722D+01
               131           132           133           134           135 
      1  -0.514160D+01 -0.478682D+01 -0.952536D-01 -0.236945D+01 -0.171559D+01
      2  -0.132874D+01  0.277535D+00 -0.711710D+00  0.143287D+01  0.578393D+00
      3  -0.181096D+02 -0.510894D+00  0.194720D+01 -0.415849D+01 -0.169060D+01
               136           137           138           139           140 
      1   0.343779D+01  0.158791D+01 -0.575676D+01  0.165214D+01  0.184325D+01
      2  -0.258444D+00 -0.149556D+01  0.457831D+01 -0.224042D+01 -0.207678D+01
      3   0.393519D+01 -0.193737D+01 -0.143873D+01  0.441357D-01 -0.284321D+01
               141           142           143           144           145 
      1  -0.257550D+01 -0.559034D+01 -0.848622D+00  0.955168D+01  0.185917D+01
      2   0.217126D+01 -0.317707D+00  0.252337D+01 -0.613358D+01 -0.271225D+01
      3   0.481884D+00 -0.443669D+01  0.129256D+01  0.147121D+01 -0.416543D+01
               146           147           148           149           150 
      1   0.645309D+00  0.316880D+01 -0.272932D-01 -0.125879D+01 -0.152954D+01
      2  -0.980087D+00  0.344381D+01  0.189592D+01  0.601131D+00 -0.214078D+00
      3  -0.264235D+01 -0.633281D+00  0.178416D+01  0.252470D+01  0.266364D-01
               151           152           153           154           155 
      1   0.144484D+01  0.557717D+00  0.420526D+01 -0.227623D+01 -0.481620D+01
      2  -0.250245D+01 -0.448237D+00  0.375066D+01  0.253684D+01  0.180213D+01
      3  -0.291414D+01 -0.113458D+00 -0.673320D+00  0.723754D+01  0.577605D+01
               156           157           158           159           160 
      1  -0.290374D+01 -0.329460D+01 -0.106384D+02 -0.529044D+01 -0.203550D+01
      2   0.166925D+00  0.138401D+01  0.296964D+01  0.221341D-01 -0.102599D+01
      3   0.858906D+00  0.729398D+01  0.139318D+02  0.135125D+01  0.330775D+01
               161           162           163           164           165 
      1  -0.366438D+01 -0.387595D+01  0.642432D+01 -0.454753D+01 -0.450642D+01
      2   0.416417D+00 -0.177937D+00  0.126335D+02 -0.254593D+01 -0.559580D+01
      3   0.581742D+01  0.210784D+01  0.598969D+01 -0.108087D+01 -0.336100D+01
               166           167           168           169           170 
      1  -0.447525D+01  0.321941D+01  0.182639D+01 -0.505651D+01  0.386080D+01
      2  -0.590129D+01  0.239481D+01  0.343025D+01 -0.901259D+01  0.205714D+01
      3   0.102350D+00  0.831442D+00  0.121717D+01 -0.335584D+01  0.171182D+01
               171           172           173           174           175 
      1   0.678759D+01  0.552203D+00  0.442358D+00 -0.107544D+01  0.106756D+00
      2   0.857067D+01 -0.183225D+01 -0.476922D+01 -0.283507D+01 -0.250456D+01
      3   0.340899D+01  0.453304D+01  0.644920D+01  0.417861D+01  0.286839D+01
               176           177           178           179           180 
      1   0.215789D+01 -0.276291D+01  0.614053D+00  0.134629D+01 -0.252834D+01
      2  -0.101631D+02 -0.737873D+01 -0.966545D+00 -0.745236D+01 -0.819894D+01
      3   0.198127D+02  0.100587D+02  0.217773D+01  0.101114D+02  0.716973D+01
               181           182           183           184           185 
      1   0.464700D+01 -0.209726D+01  0.349572D+01 -0.252580D+01  0.132774D+01
      2   0.116104D+02 -0.519822D+01  0.917054D+01 -0.433137D+01  0.201680D+01
      3  -0.532302D+00 -0.533725D+01  0.858433D+00 -0.276195D+01  0.488187D+01
               186           187           188           189           190 
      1  -0.182671D+01  0.305122D+01 -0.315065D+00  0.276586D+01 -0.255603D+01
      2  -0.318490D+01  0.809445D+01 -0.332702D+01  0.751248D+01 -0.204971D+01
      3   0.398913D+00  0.194133D+01 -0.290523D+01  0.339107D+00 -0.422950D+01
               191           192           193           194           195 
      1  -0.229087D+01  0.262662D+01 -0.237986D+01 -0.627497D+01  0.374532D+01
      2  -0.241803D+01  0.488594D+01 -0.308018D+01 -0.541726D+01  0.750458D+01
      3  -0.373267D+01  0.468399D+01 -0.292475D+01 -0.929036D+01  0.735179D+01
               196           197           198           199           200 
      1   0.365286D+01  0.615781D+01 -0.607962D+01  0.120087D+00 -0.416045D+00
      2   0.427591D+01  0.417840D+01 -0.128447D+02  0.292966D+00  0.210342D+00
      3   0.475260D+01  0.812636D+01 -0.704967D+01  0.941172D+00  0.585021D+00
               201           202           203           204           205 
      1   0.456951D+00 -0.415010D+01 -0.475099D+00 -0.217304D+01  0.150444D+01
      2  -0.152965D+00 -0.147537D+01 -0.149148D+01 -0.638435D+00 -0.273374D+01
      3   0.791412D+00  0.221933D+01 -0.188780D+00 -0.965697D-02  0.188550D+01
               206           207           208           209           210 
      1   0.181853D+01 -0.345188D+01  0.830621D+00 -0.432928D+00 -0.268828D-01
      2   0.235620D+00 -0.226412D+01  0.112300D+01 -0.869762D-01  0.556082D+00
      3   0.738446D+00 -0.859398D-01 -0.156717D+01 -0.614983D+00 -0.394005D+00
               211           212           213           214           215 
      1  -0.162022D+01  0.142307D+01  0.277482D-01  0.548180D+00  0.398211D+01
      2  -0.341866D-01  0.311742D+01  0.452573D+01 -0.360165D+01  0.392545D+01
      3   0.322457D+01 -0.206497D+01 -0.301572D+01 -0.608575D+00 -0.326270D+01
               216           217           218           219           220 
      1  -0.142547D+00 -0.209298D+00  0.247854D+01  0.517506D+00 -0.104636D+01
      2   0.126436D+02 -0.116868D+01 -0.262167D+01 -0.313540D+01 -0.227620D+00
      3  -0.462006D+01  0.222943D+01  0.428295D+01  0.142719D+01  0.105387D+01
               221           222           223           224           225 
      1   0.124487D+02  0.175121D+01  0.184043D+01  0.913012D+00  0.648955D+00
      2  -0.745083D+01 -0.502118D+01 -0.268456D+00 -0.250111D+01 -0.355530D+01
      3   0.254319D+02  0.621965D+01  0.182791D+01  0.150796D+01  0.262162D+01
               226           227           228           229           230 
      1  -0.622945D+00  0.253299D+01 -0.382448D+01 -0.293922D+00 -0.322481D+01
      2  -0.643142D+01  0.364949D+01 -0.120970D+02  0.262159D+01 -0.788418D+01
      3  -0.255363D+01  0.252956D+01 -0.149506D+01  0.132271D+01 -0.323194D+01
               231           232           233           234           235 
      1   0.440980D+01 -0.211286D+01  0.404033D+01 -0.590691D+01 -0.130877D+01
      2   0.105117D+02 -0.636559D+01  0.613799D+01 -0.201541D+02  0.185093D+01
      3   0.598612D+01 -0.955070D+00  0.408123D+01 -0.467448D+01 -0.394589D+01
               236           237           238           239           240 
      1  -0.191838D+01  0.717630D+00 -0.643732D+00  0.165871D+00 -0.111729D+00
      2   0.303648D+00  0.564020D+01 -0.341185D+00 -0.113668D+01  0.186725D+01
      3  -0.591952D+01  0.114881D+01 -0.228865D+01  0.456239D+00  0.152292D+01
               241           242           243 
      1   0.602679D+00  0.137140D+01 -0.767514D+00
      2  -0.255752D+00  0.101978D+01 -0.215417D+01
      3   0.148880D+01  0.143105D+01 -0.148512D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.101092D+02  0.547046D+01 -0.670302D+01  0.117782D+01  0.723652D+01
      2   0.133932D+01 -0.194046D+02 -0.536723D+01 -0.135216D+02 -0.179225D+02
      3  -0.114485D+02  0.139341D+02  0.120702D+02  0.123438D+02  0.106860D+02
      4   0.117922D+02 -0.506982D+01  0.227275D+02 -0.206818D+01  0.680684D+01
      5  -0.180002D+02  0.185325D+02 -0.140292D+02  0.176728D+02  0.410755D+01
      6   0.140689D+02 -0.126499D+02  0.122341D+02 -0.828040D+01 -0.350940D+01
                 6             7             8             9            10 
      1   0.204683D+02 -0.665800D+01  0.206417D+02 -0.149215D+01 -0.691587D+01
      2  -0.132750D+02 -0.707251D+01 -0.165512D+02  0.710738D+01  0.106866D+02
      3  -0.719328D+01  0.137305D+02 -0.409056D+01 -0.561523D+01 -0.377070D+01
      4  -0.633901D+01  0.233783D+02 -0.878878D+01  0.438255D+01 -0.180348D+02
      5   0.634199D+01 -0.135699D+02  0.969520D+01 -0.843611D+01  0.102349D+02
      6   0.446774D+01  0.105425D+02  0.313840D+01  0.141876D+01 -0.135475D+02
                11            12            13            14            15 
      1  -0.224796D+01  0.770917D+01 -0.627110D+01 -0.118096D+02 -0.205114D+02
      2   0.488351D+01  0.529260D+00  0.430150D+01  0.145239D+02  0.720938D+01
      3  -0.263555D+01 -0.823843D+01  0.196959D+01 -0.271432D+01  0.133020D+02
      4   0.102908D+01 -0.207343D+02  0.500996D+01 -0.270440D+02 -0.649547D+01
      5  -0.169439D+02 -0.297113D+01 -0.188063D+02 -0.165996D+02  0.101263D+01
      6   0.899985D+01 -0.436080D+01 -0.287492D+01 -0.225504D+01 -0.646817D+01
                16            17            18            19            20 
      1   0.463804D+01 -0.196011D+02 -0.394714D+01  0.534638D+02  0.114103D+02
      2   0.877079D+01  0.103028D+02 -0.298490D+01 -0.488406D+02 -0.156147D+02
      3  -0.134088D+02  0.929832D+01  0.693204D+01 -0.462328D+01  0.420441D+01
      4  -0.322578D+02 -0.372339D+00 -0.599928D+00  0.104612D+02 -0.109244D+02
      5  -0.580211D+01  0.889667D+00  0.203459D+01  0.176851D+02  0.571290D+01
      6  -0.537520D+01 -0.321305D+01  0.113557D+01  0.137157D+02 -0.551433D+00
                21            22            23            24            25 
      1   0.356535D+01  0.214743D+02  0.818251D+01  0.716510D+01  0.198846D+01
      2  -0.314044D+01 -0.203858D+02 -0.130788D+02  0.292107D+01 -0.698976D+01
      3  -0.424911D+00 -0.108843D+01  0.489631D+01 -0.100862D+02  0.500129D+01
      4   0.643074D+01 -0.342438D+02 -0.483577D+01 -0.299898D+01  0.164611D+02
      5   0.456096D+01  0.603054D+01  0.570781D+01  0.440798D+01  0.447260D+01
      6   0.336188D+01  0.867418D+01  0.736721D+01  0.735945D+00  0.391918D+01
                26            27            28            29            30 
      1   0.972974D+01  0.149499D+02 -0.133188D+03 -0.130384D+02 -0.425301D+01
      2  -0.184863D+01  0.635722D+01  0.907103D+02  0.880997D+01  0.470804D+01
      3  -0.788111D+01 -0.213071D+02  0.424779D+02  0.422838D+01 -0.455031D+00
      4  -0.557730D+01  0.938027D+01 -0.143815D+02 -0.844463D+01 -0.459471D+00
      5   0.587192D+01  0.605353D+01 -0.364685D+02 -0.252475D+01 -0.124766D+02
      6  -0.625441D+00 -0.203758D+01 -0.194288D+02 -0.514497D+01  0.897487D-01
                31            32            33            34            35 
      1  -0.381721D+02 -0.263445D+02  0.351027D+01 -0.311944D+02 -0.144960D+00
      2   0.276968D+02  0.229812D+02 -0.318666D+01  0.183848D+02 -0.217450D+01
      3   0.104753D+02  0.336337D+01 -0.323615D+00  0.128096D+02  0.231946D+01
      4  -0.109845D+02 -0.102029D+02  0.129810D+01 -0.654470D+01  0.240579D+01
      5  -0.906967D+01 -0.479932D+01  0.154331D+00 -0.112525D+02  0.159029D+01
      6  -0.649119D+01 -0.869698D+01  0.394511D+01 -0.173820D+01  0.157575D+01
                36            37            38            39            40 
      1  -0.114511D+02  0.180551D+03  0.288491D+02  0.180945D+02  0.331458D+02
      2   0.158424D+01 -0.110987D+03 -0.178713D+02 -0.116952D+02 -0.171722D+02
      3   0.986683D+01 -0.695638D+02 -0.109778D+02 -0.639928D+01 -0.159736D+02
      4   0.752178D+00  0.329062D+02  0.161515D+02  0.542580D+00  0.325123D+02
      5   0.198061D+01  0.558960D+02  0.463422D+01  0.125167D+02  0.420357D+01
      6  -0.467986D+01  0.204614D+02  0.482782D+01  0.605938D-01  0.969817D+01
                41            42            43            44            45 
      1   0.610612D+01  0.909411D+01  0.109793D+02  0.908928D+01  0.135752D+02
      2   0.118260D+01  0.235353D+01 -0.126547D+02 -0.295018D+01 -0.182279D+01
      3  -0.728872D+01 -0.114476D+02  0.167544D+01 -0.613910D+01 -0.117525D+02
      4   0.733855D+01  0.287081D+01 -0.747859D+01 -0.411428D+01 -0.946470D+01
      5   0.286286D+01 -0.118884D+02  0.155788D+02 -0.841756D+01 -0.126640D+02
      6   0.110349D+01  0.363224D+01  0.412602D+00  0.947623D+00 -0.939260D+01
                46            47            48            49            50 
      1  -0.174524D+03 -0.313861D+02 -0.353667D+02 -0.588349D+02 -0.169204D+02
      2   0.967147D+02  0.143380D+02  0.193475D+02  0.312407D+02  0.117263D+02
      3   0.778091D+02  0.170480D+02  0.160192D+02  0.275942D+02  0.519411D+01
      4  -0.542584D+02 -0.278881D+02 -0.106528D+02 -0.977414D+01 -0.996100D+01
      5  -0.747949D+02 -0.146646D+02 -0.287440D+02 -0.276981D+02 -0.268334D+01
      6  -0.198707D+02 -0.321577D+01 -0.535910D+01 -0.477428D+00 -0.578204D+01
                51            52            53            54            55 
      1  -0.113776D+02 -0.536733D+02 -0.130389D+02 -0.166522D+02  0.197468D+03
      2   0.912487D+01  0.214020D+02  0.128138D+01  0.131927D+02 -0.104375D+03
      3   0.225277D+01  0.322714D+02  0.117575D+02  0.345950D+01 -0.930928D+02
      4  -0.112752D+01 -0.224753D+02 -0.552848D+00  0.501575D+01  0.488240D+02
      5   0.330005D+01 -0.223591D+02  0.554035D+01  0.161110D+02  0.714293D+02
      6   0.197528D+01  0.233159D+01 -0.417835D+01 -0.385525D+01  0.117802D+02
                56            57            58            59            60 
      1   0.319480D+02  0.367657D+02  0.640437D+02  0.296393D+02  0.510595D+01
      2  -0.123362D+02 -0.239263D+02 -0.288755D+02 -0.687292D+01 -0.936993D+00
      3  -0.196118D+02 -0.128394D+02 -0.351682D+02 -0.227664D+02 -0.416895D+01
      4   0.350043D+02  0.100543D+02  0.561535D+02  0.350032D+02  0.169097D+02
      5   0.123147D+02  0.400246D+02  0.207802D+02  0.188191D+02  0.968717D+01
      6   0.652316D+01  0.466721D+01  0.116912D+02  0.877222D+01  0.979368D+01
                61            62            63            64            65 
      1   0.968597D+02  0.125116D+02  0.274418D+02 -0.309538D+02  0.158674D+02
      2  -0.590362D+02 -0.529190D+01 -0.248535D+02  0.957064D+01 -0.527251D+01
      3  -0.378234D+02 -0.721967D+01 -0.258825D+01  0.213832D+02 -0.105949D+02
      4   0.241632D+02  0.145182D+02  0.112688D+02  0.198105D+02 -0.129969D+01
      5   0.671667D+02  0.135341D+02  0.408410D+02 -0.183658D+02  0.243847D+02
      6   0.116053D+02  0.102929D+02  0.518415D+01  0.106003D+02 -0.112337D+02
                66            67            68            69            70 
      1  -0.149071D+02  0.932252D+01  0.100021D+02  0.336921D+02 -0.249533D+02
      2  -0.113031D+01  0.164733D+01 -0.676615D+01 -0.256664D+02  0.832266D+00
      3   0.160374D+02 -0.109698D+02 -0.323595D+01 -0.802571D+01  0.241210D+02
      4   0.293210D+02 -0.753288D+01  0.115562D+02  0.113594D+02  0.365403D+02
      5   0.583919D-01  0.246452D+02  0.166310D+02 -0.125405D+02 -0.321022D+01
      6  -0.465844D+01 -0.699378D+01 -0.123473D+02 -0.659216D+01 -0.292006D+01
                71            72            73            74            75 
      1   0.350290D+02 -0.533613D+01 -0.485350D+02 -0.175782D+02 -0.137194D+02
      2  -0.261278D+02  0.610315D+01  0.203637D+02  0.793159D+01 -0.240448D+01
      3  -0.890120D+01 -0.767019D+00  0.281712D+02  0.964664D+01  0.161238D+02
      4   0.739372D+01 -0.444255D+01 -0.242286D+02 -0.275608D+00 -0.375432D+01
      5  -0.888195D+01  0.106398D+02 -0.167673D+02 -0.428202D+01  0.953812D+01
      6  -0.704947D+01 -0.790613D-01 -0.381326D+01 -0.304314D+01  0.793824D+01
                76            77            78            79            80 
      1  -0.149917D+02  0.814719D+01 -0.280378D+01 -0.433495D+01 -0.131234D+01
      2   0.111252D+02 -0.147015D+01  0.105911D+02 -0.504854D+01  0.735814D+01
      3   0.386652D+01 -0.667705D+01 -0.778736D+01  0.938349D+01 -0.604580D+01
      4   0.883931D+01  0.288094D+02  0.108744D+02 -0.514003D+00  0.268540D+01
      5  -0.554085D+01  0.179309D+02 -0.811207D+01  0.120450D+02 -0.890565D+01
      6   0.422521D+01  0.979927D+01 -0.137998D+01  0.622026D+01 -0.369703D+01
                81            82            83            84            85 
      1   0.223621D+02 -0.114740D+02 -0.132681D+02 -0.834120D+01 -0.163757D+02
      2  -0.456897D+01  0.170241D+02  0.300870D+02  0.103669D+02  0.281083D+02
      3  -0.177931D+02 -0.555010D+01 -0.168189D+02 -0.202567D+01 -0.117325D+02
      4  -0.477270D+01  0.665492D+01  0.956345D+01  0.958653D+01  0.223411D+02
      5  -0.847359D+01  0.719132D+00  0.936978D+01 -0.171834D+02  0.732983D+01
      6  -0.100890D+02  0.502722D+00  0.878032D+01 -0.154733D+02  0.153403D+01
                86            87            88            89            90 
      1   0.116970D+02  0.682307D+01 -0.278447D+02  0.662235D+01 -0.113282D+02
      2  -0.127622D+02 -0.591529D+01  0.274000D+02 -0.451208D+01  0.814065D+01
      3   0.106514D+01 -0.907780D+00  0.444718D+00 -0.211027D+01  0.318752D+01
      4   0.108718D+02  0.579401D+01  0.174498D+02  0.124698D+02 -0.107509D+02
      5  -0.234325D+01 -0.690375D+00 -0.254149D+02 -0.690126D+01  0.595901D+01
      6  -0.478509D+01 -0.151853D+01 -0.203684D+02 -0.410498D+01  0.662458D+01
                91            92            93            94            95 
      1  -0.600355D+02 -0.344392D+01  0.340578D+02 -0.114440D+02  0.237174D+02
      2   0.366186D+02 -0.380870D+01 -0.991508D+01  0.414586D+01 -0.189468D+02
      3   0.234169D+02  0.725262D+01 -0.241427D+02  0.729810D+01 -0.477061D+01
      4  -0.250164D+01  0.156691D+02  0.140132D+01  0.907098D+01  0.238364D+02
      5   0.306317D+02  0.310551D+01  0.112904D+02  0.635597D+01  0.426560D+01
      6   0.202282D+01 -0.724395D+01  0.143319D+01 -0.399392D+01 -0.107328D+02
                96            97            98            99           100 
      1  -0.238804D+01  0.190822D+02 -0.442051D+01  0.158331D+02  0.825913D+02
      2  -0.108353D+02 -0.378184D+01 -0.382120D+01 -0.863402D+01 -0.397188D+02
      3   0.132233D+02 -0.153004D+02  0.824170D+01 -0.719909D+01 -0.428726D+02
      4   0.706248D+01  0.318553D+01  0.155371D+01 -0.131673D+02  0.366286D+02
      5  -0.125616D+02  0.144762D+02 -0.115070D+02 -0.122505D+02  0.255890D+02
      6  -0.413927D+01 -0.989036D+00  0.172668D+01  0.112844D+02  0.796004D+01
               101           102           103           104           105 
      1   0.159038D+02  0.135423D+02  0.713115D+01  0.765875D+01  0.995721D+00
      2  -0.439142D+01 -0.803487D+01 -0.140753D+00  0.175453D+00 -0.112071D+01
      3  -0.115124D+02 -0.550747D+01 -0.699040D+01 -0.783421D+01  0.124991D+00
      4   0.203538D+02  0.801196D+01  0.166161D+02  0.776482D+01  0.271032D+01
      5   0.680839D+01  0.143029D+02  0.328499D+01  0.210646D+01  0.236128D+01
      6   0.453884D+01  0.431921D+01  0.321665D+01  0.599204D+00  0.280484D+01
               106           107           108           109           110 
      1   0.370605D+01  0.963511D+00  0.533406D+01  0.310058D+00  0.588423D+01
      2  -0.334427D+01 -0.238623D+01 -0.479583D+01 -0.223758D+01 -0.338166D+01
      3  -0.361783D+00  0.142272D+01 -0.538226D+00  0.192752D+01 -0.250256D+01
      4   0.265866D+01 -0.933320D-01  0.541957D+01  0.226000D+01 -0.170657D+01
      5   0.119933D+02  0.441443D+01  0.699915D+01  0.307449D+01  0.887030D-01
      6   0.342595D+01  0.266888D+01  0.352439D+01  0.373119D+01 -0.333314D+01
               111           112           113           114           115 
      1   0.107587D+02  0.264858D+01 -0.761115D+01 -0.479544D+01  0.768094D+01
      2  -0.124905D+00 -0.189084D+01  0.334472D+01  0.195388D+01 -0.358160D+01
      3  -0.106338D+02 -0.757746D+00  0.426643D+01  0.284155D+01 -0.409934D+01
      4   0.124673D+01  0.169769D+01  0.172837D+01  0.379846D+01  0.365926D+01
      5  -0.361779D+01  0.164584D+01  0.260653D+01  0.560160D+01  0.477970D+01
      6  -0.606453D+01 -0.765721D+00  0.608895D+01  0.106972D+02  0.706188D+00
               116           117           118           119           120 
      1  -0.764371D+01 -0.238804D+02  0.975379D-01 -0.131576D+00 -0.191794D+01
      2   0.126214D+01 -0.873906D+01 -0.385575D+01 -0.203676D+00 -0.895977D-01
      3   0.638157D+01  0.326195D+02  0.375821D+01  0.335253D+00  0.200754D+01
      4   0.836247D+01  0.806021D+01 -0.129214D+01  0.271317D+01  0.411088D+00
      5   0.936505D+01  0.291539D+02 -0.618614D+00  0.139275D+01  0.650580D+01
      6   0.114122D+02  0.223488D+02  0.134884D+01  0.212303D+00 -0.388763D-01
               121           122           123           124           125 
      1   0.140203D+01 -0.667117D+01 -0.534537D+01 -0.124071D+01 -0.273654D+01
      2  -0.824979D+00  0.184932D+01 -0.219815D+01  0.157388D+01 -0.254485D+01
      3  -0.577049D+00  0.482185D+01  0.754351D+01 -0.333170D+00  0.528140D+01
      4   0.203989D+01 -0.259702D+01 -0.226237D+01 -0.873981D-01 -0.277148D+01
      5   0.204007D+01 -0.241297D+01 -0.332385D+01  0.539690D+01 -0.261298D+01
      6  -0.113706D+00  0.217821D+01  0.686264D+01 -0.821077D+00  0.556179D+01
               126           127           128           129           130 
      1  -0.244387D+02 -0.730280D+01  0.195261D+02  0.794113D+00  0.114413D+02
      2  -0.126232D+02  0.973347D+01 -0.278369D+02 -0.149795D+01 -0.145229D+02
      3   0.370619D+02 -0.243067D+01  0.831083D+01  0.703839D+00  0.308163D+01
      4  -0.432980D+01 -0.478686D+01  0.236886D+01 -0.553678D+00  0.598476D+01
      5  -0.122590D+02  0.575704D+00 -0.794887D+00  0.154079D+01 -0.637551D+00
      6   0.210414D+01  0.354022D+00  0.119918D+00 -0.196946D+01  0.393157D+00
               131           132           133           134           135 
      1  -0.357282D+02 -0.456797D+00  0.395404D+01 -0.615988D+01 -0.439656D+01
      2   0.551914D+02  0.160751D+01 -0.367710D+01  0.952015D+01  0.553303D+01
      3  -0.194631D+02 -0.115072D+01 -0.276932D+00 -0.336027D+01 -0.113648D+01
      4   0.829494D+01 -0.534382D+00  0.135589D+00  0.143746D+01  0.213359D+01
      5   0.188042D+00  0.231318D+01  0.348242D+01  0.272937D+01  0.441338D-01
      6  -0.740651D+00  0.721816D+01  0.847089D+00  0.882865D+01  0.148714D+01
               136           137           138           139           140 
      1   0.112393D+02  0.145847D+01 -0.242388D+01  0.359772D+01 -0.528239D+01
      2  -0.487860D+01  0.167985D+01  0.783951D+00 -0.918565D+00  0.925261D+01
      3  -0.636067D+01 -0.313831D+01  0.163993D+01 -0.267916D+01 -0.397022D+01
      4   0.174525D+02  0.139010D+02 -0.116898D+02  0.103164D+02  0.114311D+02
      5  -0.175951D+02 -0.100491D+02  0.178483D+02 -0.566684D+01 -0.891715D+01
      6  -0.108090D+02 -0.905233D+01  0.121637D+02 -0.651165D+01 -0.103544D+02
               141           142           143           144           145 
      1   0.265671D+01  0.124289D+01  0.676194D+01 -0.603415D+01  0.144969D+02
      2  -0.430420D+01 -0.169882D+01 -0.738209D+01 -0.229781D+01 -0.100842D+02
      3   0.164749D+01  0.455931D+00  0.620154D+00  0.833196D+01 -0.441268D+01
      4  -0.915189D+01 -0.175931D+02 -0.156015D+02  0.156993D+02 -0.250255D+02
      5   0.778434D+01  0.215554D+02  0.144249D+02 -0.256469D+02  0.270925D+02
      6   0.975668D+01  0.163164D+02  0.167889D+02 -0.232200D+02 -0.138668D+02
               146           147           148           149           150 
      1  -0.131879D+01  0.223144D+01 -0.102638D+01 -0.333535D+01  0.158595D+01
      2  -0.854075D+00 -0.602544D+01 -0.680412D+00  0.708126D+01 -0.135773D+01
      3   0.217287D+01  0.379400D+01  0.170680D+01 -0.374592D+01 -0.228224D+00
      4   0.188896D+02 -0.168636D+02  0.133793D+02 -0.140001D+02  0.103600D+02
      5  -0.144676D+02  0.239001D+02 -0.923979D+01  0.926154D+01 -0.843420D+01
      6   0.130030D+02 -0.145176D+02  0.910655D+01 -0.107613D+02  0.101060D+02
               151           152           153           154           155 
      1   0.397074D+01  0.181690D+01 -0.320413D+01 -0.642367D+01 -0.111057D+02
      2  -0.643614D+01  0.470470D+00 -0.783305D+01  0.789922D+01  0.169344D+02
      3   0.246540D+01 -0.228737D+01  0.110372D+02 -0.147555D+01 -0.582869D+01
      4  -0.139554D+02  0.104558D+02 -0.136591D+02  0.193067D+01  0.321687D+01
      5   0.202694D+02 -0.117982D+02  0.225877D+02 -0.106600D+01 -0.458676D+01
      6  -0.113769D+02  0.113315D+02 -0.162079D+02 -0.155979D+01 -0.166268D+01
               156           157           158           159           160 
      1   0.840750D+00 -0.675483D+01 -0.254640D+02 -0.157719D+01 -0.219859D+01
      2   0.233359D+01  0.103864D+02  0.419447D+02  0.562158D+01  0.370665D+01
      3  -0.317434D+01 -0.363155D+01 -0.164807D+02 -0.404439D+01 -0.150806D+01
      4  -0.127740D+01  0.449640D+01 -0.920387D+01  0.877473D+00  0.960419D-01
      5   0.971256D+00 -0.462239D+01 -0.495814D+01 -0.378276D+01  0.670085D+00
      6   0.172025D+01 -0.306992D+00 -0.610077D+01  0.596386D+01  0.309534D+00
               161           162           163           164           165 
      1  -0.937358D+01 -0.332123D+01 -0.707783D+01 -0.242737D+01  0.110754D+02
      2   0.150890D+02  0.482669D+01 -0.455007D+01  0.597776D+01  0.413236D+01
      3  -0.571544D+01 -0.150546D+01  0.116279D+02 -0.355040D+01 -0.152078D+02
      4  -0.356883D+01 -0.100795D+01  0.646664D+01 -0.122997D+01 -0.577711D+01
      5  -0.350074D+01 -0.217758D+01 -0.411012D+01 -0.750687D+00  0.302785D+01
      6   0.384483D+01  0.375689D+01 -0.223120D+01 -0.238203D+01  0.395615D+01
               166           167           168           169           170 
      1   0.176972D+01 -0.277617D+01 -0.678687D+01  0.899848D+01 -0.221510D+01
      2   0.366786D+01 -0.122302D+00 -0.200317D+01  0.405868D+01 -0.180581D+01
      3  -0.543757D+01  0.289847D+01  0.879004D+01 -0.130572D+02  0.402091D+01
      4  -0.261055D+01  0.289298D+01  0.176439D+01 -0.699333D+01  0.241944D+01
      5   0.571822D-01 -0.102017D+01  0.214778D+01  0.534828D+01 -0.155618D+01
      6  -0.198563D+01  0.305393D+01  0.957033D+00  0.149426D+01  0.369902D+01
               171           172           173           174           175 
      1  -0.153796D+02 -0.323884D+01 -0.126150D+02 -0.538689D+01 -0.907007D+01
      2  -0.880843D+01  0.323971D+01  0.102451D+02  0.295838D+01  0.357958D+01
      3   0.241880D+02 -0.871774D-03  0.236994D+01  0.242851D+01  0.549049D+01
      4   0.439792D+01 -0.124228D+01 -0.419551D+01 -0.445579D+01  0.808014D+01
      5   0.221272D+01  0.207371D+01 -0.372736D+01 -0.291209D+01  0.225600D+01
      6  -0.632169D+01  0.164759D+01  0.680832D+01  0.539849D+01 -0.662221D+00
               176           177           178           179           180 
      1  -0.224695D+02 -0.137134D+02 -0.201589D+01 -0.144244D+02 -0.104897D+02
      2   0.264974D+02  0.102774D+02  0.191990D+01  0.100142D+02  0.341784D+01
      3  -0.402791D+01  0.343598D+01  0.959943D-01  0.441027D+01  0.707187D+01
      4  -0.292331D+02 -0.139425D+02  0.182027D-01 -0.131982D+02 -0.954694D+01
      5  -0.140761D+02 -0.106132D+02  0.452422D+01 -0.960337D+01 -0.133850D+02
      6   0.209888D+02  0.150020D+02 -0.116400D+00  0.147811D+02  0.132464D+02
               181           182           183           184           185 
      1   0.718023D+02 -0.189974D+02  0.136712D+02 -0.165831D+02  0.913649D+01
      2  -0.290080D+02  0.358324D+01 -0.387652D+01  0.138119D+01  0.123788D+01
      3  -0.427943D+02  0.154141D+02 -0.979464D+01  0.152019D+02 -0.103744D+02
      4  -0.381427D+02  0.204456D+02 -0.879106D+01  0.231474D+02 -0.174617D+02
      5   0.827518D+01 -0.421577D+01  0.123186D+02 -0.404500D+01  0.121803D+01
      6  -0.357251D+01  0.148267D+01 -0.358613D+01  0.123649D+01  0.237403D+00
               186           187           188           189           190 
      1  -0.557327D+01  0.314315D+02 -0.102733D+02  0.114229D+02  0.188628D+02
      2   0.168877D+01 -0.107184D+02  0.229129D+01 -0.517207D+01 -0.132712D+02
      3   0.388450D+01 -0.207130D+02  0.798203D+01 -0.625087D+01 -0.559157D+01
      4   0.389247D+01 -0.216757D+02  0.120670D+02 -0.733137D+01  0.217351D+01
      5  -0.295798D+01  0.133012D+02 -0.430090D+01  0.116309D+02 -0.141237D+02
      6   0.366227D+01 -0.458002D+01  0.364062D+01 -0.488232D+01 -0.141164D+01
               191           192           193           194           195 
      1   0.462125D+01 -0.927602D+01  0.140346D+02  0.313583D+01 -0.951464D+01
      2  -0.471426D+01  0.101532D+02 -0.113647D+02 -0.493595D+01  0.126766D+02
      3   0.930076D-01 -0.877141D+00 -0.266994D+01  0.180013D+01 -0.316200D+01
      4   0.551122D+01 -0.590258D+01  0.586165D+01  0.134619D+02 -0.945749D+01
      5  -0.834167D+01  0.149882D+02 -0.153593D+02 -0.114252D+02  0.182464D+02
      6  -0.188317D+00  0.222943D+00 -0.298287D+00 -0.357866D+01  0.301591D+01
               196           197           198           199           200 
      1  -0.107875D+02 -0.639005D+01  0.792672D+01 -0.188374D+00 -0.182026D+01
      2   0.136008D+02  0.976203D+01 -0.186970D+02  0.155150D+01  0.156475D+01
      3  -0.281323D+01 -0.337198D+01  0.107702D+02 -0.136312D+01  0.255515D+00
      4  -0.576782D+01 -0.100704D+02  0.727113D+01 -0.103680D+01  0.147185D+01
      5   0.216617D+02  0.108954D+02 -0.321397D+02 -0.340452D+01  0.105034D+01
      6  -0.516502D+00  0.482509D+01  0.683688D+00  0.703728D+00 -0.531623D-01
               201           202           203           204           205 
      1  -0.200699D+01 -0.222048D+01 -0.563639D+00 -0.459652D+01 -0.310284D+01
      2   0.170492D+01 -0.155469D+01  0.787858D+00  0.252449D+01  0.258654D+01
      3   0.302075D+00  0.377518D+01 -0.224219D+00  0.207203D+01  0.516301D+00
      4   0.188533D+01  0.708571D+00 -0.848308D+00 -0.220715D+01  0.237451D+01
      5   0.399316D+01  0.468068D+00 -0.606941D+00 -0.203257D+01  0.336532D+01
      6  -0.288858D+00 -0.607349D+00  0.344821D+01  0.317240D+01  0.136072D+00
               206           207           208           209           210 
      1  -0.518362D+01 -0.801597D+01 -0.818437D+00  0.122719D+01  0.293662D+01
      2   0.394356D+01  0.159068D+01 -0.180740D+01 -0.629923D+00 -0.924251D+00
      3   0.124006D+01  0.642530D+01  0.262583D+01 -0.597264D+00 -0.201237D+01
      4  -0.216989D+01 -0.396387D+01  0.150987D+01  0.183938D+01  0.191465D+01
      5  -0.324399D+01 -0.687103D+01  0.306802D+01  0.219589D+01  0.634747D+01
      6   0.418010D+01  0.655229D+01  0.207267D+01 -0.817279D-01  0.541619D+00
               211           212           213           214           215 
      1   0.228368D+01 -0.685046D+01 -0.834829D+01  0.334346D+01 -0.780424D+01
      2  -0.316924D+01  0.167632D+01 -0.154216D+00 -0.288756D+01  0.724712D+00
      3   0.885564D+00  0.517414D+01  0.850250D+01 -0.455896D+00  0.707953D+01
      4  -0.475132D+00  0.341158D+01  0.424355D+01  0.236840D+01  0.438946D+01
      5   0.299734D+01  0.509853D+01  0.867939D+01  0.469583D+01  0.693430D+01
      6  -0.496496D+00  0.555790D+01  0.705739D+01  0.157565D+01  0.787712D+01
               216           217           218           219           220 
      1  -0.245911D+02  0.344142D+01 -0.847708D+01 -0.600694D+01 -0.101767D+02
      2  -0.651419D+01 -0.105963D+00  0.670552D+01  0.160633D+01  0.498784D+01
      3   0.311053D+02 -0.333546D+01  0.177156D+01  0.440061D+01  0.518889D+01
      4   0.574349D+01 -0.301998D+01 -0.330292D+01 -0.146855D+01  0.700083D+01
      5   0.229037D+02 -0.973355D+00  0.182721D+00 -0.401461D+01  0.774654D+01
      6   0.976840D+01  0.192150D+01  0.379690D+01  0.177651D+01 -0.196079D+01
               221           222           223           224           225 
      1  -0.209509D+02 -0.387087D+01 -0.465997D+01 -0.307810D+01 -0.674772D+01
      2   0.282741D+02  0.269152D+01  0.246873D+01  0.109928D+00  0.236165D+01
      3  -0.732313D+01  0.117935D+01  0.219124D+01  0.296817D+01  0.438607D+01
      4  -0.436292D+02 -0.112025D+02 -0.110907D+01 -0.282116D+01 -0.418939D+01
      5  -0.863361D+01 -0.114683D+02  0.117273D+01 -0.399378D+01 -0.384912D+01
      6   0.201577D+02  0.100428D+02 -0.223399D+00  0.689745D+01  0.286320D+01
               226           227           228           229           230 
      1  -0.466360D+01  0.652352D+01 -0.162651D+02  0.773859D+01 -0.116307D+02
      2  -0.992565D+00 -0.113963D+01 -0.220878D+00 -0.371905D+01  0.402949D+01
      3   0.565616D+01 -0.538389D+01  0.164859D+02 -0.401954D+01  0.760116D+01
      4   0.406188D+01 -0.529616D+01  0.126542D+01 -0.133411D+01  0.481876D+01
      5  -0.511260D+00 -0.332897D+00 -0.935040D+01 -0.318788D+01 -0.667145D+01
      6  -0.282139D+01  0.439912D+01 -0.269163D+01  0.178660D+01 -0.574729D+01
               231           232           233           234           235 
      1   0.904371D+01 -0.164548D+02  0.744705D+01 -0.225068D+02  0.843561D+02
      2   0.339562D+01  0.604269D+01  0.166729D+01 -0.775875D+01 -0.474638D+02
      3  -0.124393D+02  0.104121D+02 -0.911433D+01  0.302656D+02 -0.368922D+02
      4  -0.846498D+01  0.321168D+01 -0.812210D+01  0.722461D+01 -0.743153D+01
      5   0.127856D+02  0.270040D+01  0.582446D+01 -0.231787D+02 -0.444963D+02
      6   0.917862D+01 -0.194286D+01  0.677425D+01 -0.656566D+01  0.408824D-01
               236           237           238           239           240 
      1  -0.767332D+00 -0.227366D+02  0.567642D+01  0.646519D+01 -0.139509D+01
      2  -0.314436D+00  0.163829D+02 -0.346082D+01 -0.231124D+01  0.214358D+01
      3   0.108177D+01  0.635376D+01 -0.221560D+01 -0.415395D+01 -0.748484D+00
      4   0.114302D+02  0.195172D+01  0.108546D+02 -0.145993D+01 -0.458206D+01
      5   0.279380D+00  0.242376D+02 -0.364040D+01 -0.565681D+01  0.358207D+01
      6  -0.365598D+01 -0.875239D+00 -0.369252D+01  0.409555D+00  0.272237D+01
               241           242           243 
      1  -0.121228D+02  0.273799D+00  0.925249D+01
      2   0.108137D+02  0.685770D+00 -0.922637D+01
      3   0.130910D+01 -0.959569D+00 -0.261123D-01
      4   0.751684D+00 -0.233585D+01  0.477235D+00
      5   0.180401D+02  0.106403D+01 -0.127712D+02
      6  -0.132457D+01  0.200093D+01 -0.281432D+00
 Leave Link  716 at Thu Aug 12 21:03:43 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.175088D+03  0.754988D+01  0.504923D+01
      2   0.754988D+01  0.109926D+03  0.437036D+01
      3   0.504923D+01  0.437036D+01  0.112672D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.962865D+01  0.931570D+01 -0.291084D+01
      2   0.171258D+02 -0.114934D+02  0.146834D+02
      3   0.317178D+02 -0.435244D+02  0.198210D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.807330D+02 -0.462016D+02 -0.245332D+02
      2   0.669412D+02  0.410002D+02 -0.354206D+01
      3   0.137918D+02  0.520138D+01  0.280752D+02
      4  -0.456628D+02  0.990193D+02 -0.412966D+02
      5  -0.234225D+02 -0.466139D+02  0.222467D+02
      6  -0.255436D+02  0.139388D+02 -0.113588D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.297477D+01  0.155246D+01 -0.443552D+01  0.687950D+00  0.102331D+01
      2   0.155246D+01  0.899695D+00  0.386189D+01  0.102331D+01  0.352231D+01
      3  -0.443552D+01  0.386189D+01 -0.580462D+00  0.385821D+01  0.130666D+01
                 6             7             8             9            10 
      1   0.385821D+01 -0.477025D+01  0.392723D+01 -0.397073D+00  0.243624D+02
      2   0.130666D+01  0.392723D+01  0.188672D+01 -0.282892D+00 -0.274467D+01
      3  -0.112268D+01 -0.397073D+00 -0.282892D+00 -0.200141D+01  0.546724D+01
                11            12            13            14            15 
      1  -0.274467D+01  0.546724D+01 -0.716422D+01  0.170623D+01 -0.459119D+01
      2   0.101000D-01 -0.357309D+01  0.170623D+01 -0.480144D+01 -0.243040D+01
      3  -0.357309D+01  0.224134D+00 -0.459119D+01 -0.243040D+01  0.209567D-01
                16            17            18            19            20 
      1   0.200956D+02 -0.468420D+01  0.203957D+01 -0.473674D+02 -0.208751D+01
      2  -0.468420D+01 -0.228273D+01  0.211910D+00 -0.208751D+01 -0.426628D+01
      3   0.203957D+01  0.211910D+00  0.104506D+01 -0.424105D+01  0.119484D+01
                21            22            23            24            25 
      1  -0.424105D+01  0.510606D+01 -0.923623D+01  0.317904D+01 -0.981377D+01
      2   0.119484D+01 -0.923623D+01 -0.203391D+01 -0.611366D+00  0.244784D+01
      3  -0.661483D+00  0.317904D+01 -0.611366D+00  0.307687D+01 -0.918800D+00
                26            27            28            29            30 
      1   0.244784D+01 -0.918800D+00  0.638569D+02  0.611695D+01  0.434533D+01
      2  -0.879748D+00  0.289202D+01  0.611695D+01  0.326365D+01 -0.916572D-01
      3   0.289202D+01  0.378842D+01  0.434533D+01 -0.916572D-01  0.194107D+01
                31            32            33            34            35 
      1   0.135114D+02  0.750205D+01 -0.892466D+00  0.936144D+01 -0.722775D-01
      2   0.750205D+01  0.396581D+01 -0.687876D-01 -0.722775D-01  0.567189D+00
      3  -0.892466D+00 -0.687876D-01 -0.188989D+01  0.395044D+01 -0.181422D+01
                36            37            38            39            40 
      1   0.395044D+01 -0.598493D+02 -0.777685D+01 -0.569076D+01 -0.137574D+02
      2  -0.181422D+01 -0.777685D+01 -0.261776D+01 -0.473300D-02 -0.526257D+01
      3  -0.224647D+01 -0.569076D+01 -0.473300D-02 -0.794516D+00  0.148031D+00
                41            42            43            44            45 
      1  -0.526257D+01  0.148031D+00 -0.846522D+01 -0.120549D+00 -0.311955D+01
      2  -0.287358D+01 -0.235656D+00 -0.120549D+00 -0.690702D+00  0.259062D+01
      3  -0.235656D+00  0.307370D+01 -0.311955D+01  0.259062D+01  0.294884D+01
                46            47            48            49            50 
      1   0.449810D+02  0.794687D+01  0.606233D+01  0.116827D+02  0.204467D+01
      2   0.794687D+01  0.129369D+01  0.154283D+01  0.204467D+01  0.935102D+00
      3   0.606233D+01  0.154283D+01  0.120792D+01  0.231186D+01  0.195411D+00
                51            52            53            54            55 
      1   0.231186D+01  0.770657D+01  0.245568D+01  0.206039D+01 -0.397136D+02
      2   0.195411D+00  0.245568D+01  0.521296D+00 -0.113980D+01 -0.645824D+01
      3  -0.124936D+01  0.206039D+01 -0.113980D+01 -0.245073D+01 -0.571374D+01
                56            57            58            59            60 
      1  -0.645824D+01 -0.571374D+01 -0.156507D+02 -0.688644D+01 -0.145736D+01
      2  -0.247157D+01 -0.115893D+01 -0.688644D+01 -0.412249D+01 -0.213709D+01
      3  -0.115893D+01 -0.281451D+01 -0.145736D+01 -0.213709D+01 -0.691516D+00
                61            62            63            64            65 
      1  -0.227188D+02 -0.346145D+01 -0.601859D+01 -0.871038D+01  0.180660D+01
      2  -0.346145D+01 -0.153172D+01 -0.145807D+01  0.180660D+01  0.615613D+00
      3  -0.601859D+01 -0.145807D+01 -0.427273D+01 -0.321521D+01  0.406280D+01
                66            67            68            69            70 
      1  -0.321521D+01  0.210333D+01 -0.664342D+00  0.400510D+01 -0.862091D+01
      2   0.406280D+01 -0.664342D+00  0.287799D+01  0.343924D+01  0.419919D+01
      3   0.421131D-01  0.400510D+01  0.343924D+01 -0.122010D+01 -0.139569D+01
                71            72            73            74            75 
      1   0.419919D+01 -0.139569D+01 -0.646789D+01 -0.193746D+01 -0.169729D+01
      2   0.310292D+01 -0.432658D+00 -0.193746D+01  0.167350D+01 -0.452344D+00
      3  -0.432658D+00  0.168263D+01 -0.169729D+01 -0.452344D+00  0.274247D+01
                76            77            78            79            80 
      1  -0.196659D+01  0.240088D+01 -0.749726D+00  0.150281D+00 -0.214054D+00
      2   0.240088D+01  0.596596D+01  0.250457D+01 -0.214054D+00  0.204556D+01
      3  -0.749726D+00  0.250457D+01 -0.170853D+01  0.247623D+01 -0.250201D+01
                81            82            83            84            85 
      1   0.247623D+01  0.738407D+01  0.262633D+01  0.101441D+01  0.607586D+01
      2  -0.250201D+01  0.262633D+01  0.482932D+01  0.268086D+01  0.699421D+01
      3  -0.285659D+01  0.101441D+01  0.268086D+01 -0.331177D+01  0.166885D+01
                86            87            88            89            90 
      1   0.699421D+01  0.166885D+01  0.885195D+01  0.535654D+01 -0.370317D+01
      2  -0.163708D+01  0.464123D+00  0.535654D+01  0.640071D+00 -0.174986D+00
      3   0.464123D+00  0.575410D-01 -0.370317D+01 -0.174986D+00  0.476080D+00
                91            92            93            94            95 
      1   0.946278D+01  0.103725D+01 -0.292444D+01  0.216935D+01 -0.130140D+01
      2   0.103725D+01 -0.233684D+01 -0.144323D+00 -0.130140D+01 -0.409856D+01
      3  -0.292444D+01 -0.144323D+00 -0.301181D+01 -0.527024D+00 -0.141019D+01
                96            97            98            99           100 
      1  -0.527024D+00 -0.967639D+00 -0.389622D+00 -0.303177D+01  0.113025D+02
      2  -0.141019D+01 -0.389622D+00 -0.680741D+00  0.209523D+01  0.269716D+01
      3   0.233729D+01 -0.303177D+01  0.209523D+01  0.771678D+00  0.241640D+01
               101           102           103           104           105 
      1   0.269716D+01  0.241640D+01  0.116532D+01  0.159669D+01  0.272936D+00
      2   0.200258D+01  0.653240D+00  0.159669D+01  0.652088D+00  0.224474D+00
      3   0.653240D+00  0.142277D+01  0.272936D+00  0.224474D+00  0.346633D+00
               106           107           108           109           110 
      1   0.591419D+00  0.215458D+00  0.116669D+01 -0.233074D+00  0.566489D+00
      2   0.215458D+00 -0.144548D+00  0.645922D+00  0.566489D+00 -0.962453D+00
      3   0.116669D+01  0.645922D+00  0.105934D+01  0.103671D+01 -0.409573D+00
               111           112           113           114           115 
      1   0.103671D+01  0.187803D+00 -0.141530D+00  0.660213D-01  0.967697D+00
      2  -0.409573D+00 -0.141530D+00  0.736383D+00  0.102639D+01  0.584180D-01
      3  -0.207145D+01  0.660213D-01  0.102639D+01  0.144887D+01 -0.159895D+00
               116           117           118           119           120 
      1   0.584180D-01 -0.159895D+00 -0.572539D-01 -0.458336D+00 -0.666237D+00
      2   0.197255D+01  0.218515D+01 -0.458336D+00  0.318862D+00 -0.137508D+00
      3   0.218515D+01  0.753576D+01 -0.666237D+00 -0.137508D+00 -0.504961D-01
               121           122           123           124           125 
      1  -0.223078D+01  0.407603D+00 -0.317171D-01 -0.104921D+01  0.752440D-01
      2   0.407603D+00 -0.774048D+00 -0.120353D+01  0.752440D-01 -0.123292D+01
      3  -0.317171D-01 -0.120353D+01 -0.171028D+01  0.472656D+00 -0.116536D+01
               126           127           128           129           130 
      1   0.472656D+00 -0.209441D+01  0.165634D+01 -0.976747D-01 -0.183943D+00
      2  -0.116536D+01  0.165634D+01 -0.432155D+01 -0.237316D+00 -0.196143D+01
      3  -0.696025D+01 -0.976747D-01 -0.237316D+00 -0.270237D+00 -0.284691D+00
               131           132           133           134           135 
      1  -0.196143D+01 -0.284691D+00  0.108342D+00 -0.617932D+00  0.222462D+00
      2   0.827476D+01  0.398083D-01 -0.617932D+00  0.149754D+01  0.119312D+01
      3   0.398083D-01  0.890865D+00  0.222462D+00  0.119312D+01  0.271270D+00
               136           137           138           139           140 
      1   0.325423D+01  0.162378D+01 -0.204155D+01 -0.554208D+00  0.843479D+00
      2   0.162378D+01  0.156297D+01 -0.148288D+01  0.843479D+00  0.219481D+01
      3  -0.204155D+01 -0.148288D+01  0.254115D+01 -0.103604D+01 -0.154182D+01
               141           142           143           144           145 
      1  -0.103604D+01 -0.498538D+01 -0.266469D+01  0.302061D+01  0.558361D+01
      2  -0.154182D+01 -0.266469D+01 -0.291126D+01  0.248248D+01 -0.247355D+01
      3   0.127433D+01  0.302061D+01  0.248248D+01 -0.467772D+01  0.334381D+01
               146           147           148           149           150 
      1  -0.247355D+01  0.334381D+01 -0.121520D+01  0.158428D+01 -0.135394D+01
      2   0.249348D+01 -0.222476D+01  0.158428D+01 -0.243289D+01  0.147111D+01
      3  -0.222476D+01  0.331016D+01 -0.135394D+01  0.147111D+01 -0.123026D+01
               151           152           153           154           155 
      1   0.209883D+01 -0.170008D+01  0.244017D+01 -0.125245D+01 -0.149431D+01
      2  -0.170008D+01  0.137655D+01 -0.191215D+01 -0.149431D+01 -0.250199D+01
      3   0.244017D+01 -0.191215D+01  0.381384D+01  0.130227D+00 -0.418625D+00
               156           157           158           159           160 
      1   0.130227D+00 -0.112233D+01 -0.145331D+01 -0.440558D+00 -0.412414D+00
      2  -0.418625D+00 -0.145331D+01 -0.683392D+01 -0.432432D+00 -0.735591D+00
      3  -0.517586D+00 -0.440558D+00 -0.432432D+00 -0.113260D+01 -0.293448D+00
               161           162           163           164           165 
      1  -0.735591D+00 -0.293448D+00 -0.341113D+01  0.710800D+00  0.200789D+01
      2  -0.257128D+01 -0.854887D+00  0.710800D+00 -0.108586D+01 -0.331546D+00
      3  -0.854887D+00 -0.803978D+00  0.200789D+01 -0.331546D+00 -0.240667D+01
               166           167           168           169           170 
      1   0.170819D+01 -0.100347D+01 -0.767967D+00  0.165664D+01 -0.674499D+00
      2  -0.100347D+01  0.710122D+00  0.354180D+00 -0.674499D+00  0.659748D+00
      3  -0.767967D+00  0.354180D+00  0.159999D+01 -0.198269D+01  0.310290D+00
               171           172           173           174           175 
      1  -0.198269D+01 -0.184333D+00 -0.711348D+00 -0.726905D-01 -0.143409D+01
      2   0.310290D+00 -0.711348D+00 -0.198204D+01 -0.123919D+01  0.458659D+00
      3   0.405108D+01 -0.726905D-01 -0.123919D+01 -0.113433D+01 -0.503479D-01
               176           177           178           179           180 
      1   0.458659D+00 -0.503479D-01 -0.752503D-01 -0.221196D+00  0.314305D+00
      2  -0.608868D+01 -0.292203D+01 -0.221196D+00 -0.275348D+01 -0.213273D+01
      3  -0.292203D+01 -0.213602D+01  0.314305D+00 -0.213273D+01 -0.261481D+01
               181           182           183           184           185 
      1   0.911753D+01 -0.309073D+01  0.168556D+01 -0.233868D+01  0.224359D+01
      2  -0.309073D+01  0.176652D+01 -0.834601D+00  0.224359D+01 -0.196546D+01
      3   0.168556D+01 -0.834601D+00  0.140078D+01 -0.775179D+00  0.191711D+00
               186           187           188           189           190 
      1  -0.775179D+00  0.614466D+01 -0.204315D+01  0.183450D+01  0.301636D+01
      2   0.191711D+00 -0.204315D+01  0.116993D+01 -0.683464D+00  0.731155D+00
      3  -0.436742D+00  0.183450D+01 -0.683464D+00  0.150246D+01 -0.136583D+01
               191           192           193           194           195 
      1   0.731155D+00 -0.136583D+01  0.208512D+01  0.786176D+00 -0.184141D+01
      2   0.565405D+00 -0.974213D+00  0.786176D+00  0.207404D+01 -0.170743D+01
      3  -0.974213D+00  0.149791D+01 -0.184141D+01 -0.170743D+01  0.250514D+01
               196           197           198           199           200 
      1  -0.169779D+01 -0.102834D+01  0.248967D+01  0.136247D+01  0.828475D+00
      2  -0.102834D+01 -0.176939D+01  0.142738D+01  0.828475D+00  0.107855D+00
      3   0.248967D+01  0.142738D+01 -0.442073D+01  0.119551D+01 -0.117644D+00
               201           202           203           204           205 
      1   0.119551D+01  0.165810D+01 -0.104435D+01  0.305328D+00  0.161012D+01
      2  -0.117644D+00 -0.104435D+01  0.608320D+00  0.105839D+01  0.469825D+00
      3  -0.482526D+00  0.305328D+00  0.105839D+01  0.158631D+01 -0.338311D+00
               206           207           208           209           210 
      1   0.469825D+00 -0.338311D+00 -0.807363D+00 -0.509749D+00 -0.941959D+00
      2   0.139630D+01  0.156221D+01 -0.509749D+00 -0.680812D-01 -0.234659D-01
      3   0.156221D+01  0.438344D+01 -0.941959D+00 -0.234659D-01  0.456021D-01
               211           212           213           214           215 
      1  -0.936365D+00  0.986880D-01 -0.408253D+00 -0.172860D+01 -0.307113D+00
      2   0.986880D-01 -0.123994D+01 -0.152273D+01 -0.307113D+00 -0.162128D+01
      3  -0.408253D+00 -0.152273D+01 -0.246502D+01 -0.271312D+00 -0.216153D+01
               216           217           218           219           220 
      1  -0.271312D+00 -0.973041D+00  0.626058D+00  0.201647D+00  0.224350D+01
      2  -0.216153D+01  0.626058D+00  0.116124D+01  0.330717D+00 -0.310325D+00
      3  -0.703394D+01  0.201647D+00  0.330717D+00  0.103090D+01 -0.783454D+00
               221           222           223           224           225 
      1  -0.310325D+00 -0.783454D+00  0.115303D+01  0.122582D+00  0.248907D-01
      2   0.722457D+01  0.176344D+01  0.122582D+00  0.517407D+00  0.767943D+00
      3   0.176344D+01  0.184687D+01  0.248907D-01  0.767943D+00  0.802248D+00
               226           227           228           229           230 
      1   0.455643D+00 -0.958011D+00  0.960390D+00 -0.118429D+01  0.566977D+00
      2  -0.958011D+00  0.111728D+01 -0.416262D+00  0.566977D+00 -0.108075D+01
      3   0.960390D+00 -0.416262D+00  0.273898D+01 -0.120234D+00  0.163969D+01
               231           232           233           234           235 
      1  -0.120234D+00  0.285123D+01 -0.434939D+00  0.499377D+00 -0.100430D+02
      2   0.163969D+01 -0.434939D+00  0.142945D+01 -0.141647D+01  0.174036D+00
      3  -0.256553D+01  0.499377D+00 -0.141647D+01  0.506223D+01  0.323649D+01
               236           237           238           239           240 
      1   0.174036D+00  0.323649D+01 -0.645898D+00 -0.992103D+00  0.296188D+00
      2  -0.106733D+01 -0.545213D-01 -0.992103D+00  0.240514D+00  0.544264D+00
      3  -0.545213D-01 -0.203810D+01  0.296188D+00  0.544264D+00 -0.506835D+00
               241           242           243 
      1   0.195742D+01  0.416711D-01 -0.138166D+01
      2   0.416711D-01  0.286557D+00 -0.233039D+00
      3  -0.138166D+01 -0.233039D+00  0.114498D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.646860D+01  0.990844D+01  0.564217D+01  0.929187D+01  0.978716D+01
      2  -0.967723D+01  0.223890D+01  0.791306D+01  0.783229D+01 -0.104861D+00
      3  -0.369257D+01 -0.822690D+01  0.226963D+01 -0.891816D-01 -0.769569D+01
                 6             7             8             9            10 
      1  -0.229955D+01  0.595591D+01  0.497512D+01 -0.541398D+01  0.387106D+01
      2  -0.740680D+01  0.330744D+01 -0.758614D+01 -0.295828D+01  0.226032D+02
      3  -0.922757D+01  0.629700D+00 -0.112587D+02  0.719351D+00  0.116985D+02
                11            12            13            14            15 
      1  -0.526289D+01 -0.182965D+00 -0.634003D+01 -0.645030D+01 -0.532071D+01
      2  -0.866315D+01  0.485528D+01 -0.122608D+02 -0.338490D+01  0.152830D+00
      3  -0.228640D+01  0.790577D+01  0.679579D+01  0.131161D+02  0.983641D+01
                16            17            18            19            20 
      1   0.191775D+01  0.407465D+01 -0.331903D+00  0.237838D+01  0.242291D+01
      2   0.768127D+01  0.113670D+01  0.330764D+01 -0.342684D+02 -0.185581D+01
      3   0.112885D+02  0.100299D+02 -0.684241D+00 -0.181806D+02 -0.372643D+01
                21            22            23            24            25 
      1  -0.133921D+01  0.591729D+01  0.358700D+01 -0.277407D+01 -0.402438D+01
      2  -0.851261D-01  0.679049D+00 -0.757721D+01  0.495859D+01 -0.189409D+02
      3  -0.347148D+01  0.674932D+01 -0.658078D+01  0.267936D+01 -0.422308D+01
                26            27            28            29            30 
      1   0.399541D+01 -0.401873D+01 -0.880914D+01  0.122327D+01 -0.638704D+00
      2   0.282122D+01  0.523039D+00  0.361919D+02  0.577404D+01 -0.179369D+01
      3   0.651044D+00 -0.200893D+01  0.174672D+02  0.774200D+01 -0.185621D+00
                31            32            33            34            35 
      1   0.630683D+01 -0.746102D+00 -0.293148D+01 -0.293604D+01  0.237968D+01
      2   0.143073D+02  0.371261D+01 -0.157847D+00 -0.216774D+02 -0.197545D+01
      3   0.383178D+02  0.966587D+01  0.287001D+01 -0.106293D+01 -0.347138D+00
                36            37            38            39            40 
      1   0.323920D+01  0.885241D+01 -0.262848D+01  0.132336D+01 -0.895490D+01
      2  -0.416387D+00 -0.251176D+02 -0.564392D+01  0.401886D+01 -0.140475D+02
      3   0.350657D+00 -0.233443D+02 -0.115720D+02 -0.529531D+00 -0.369927D+01
                41            42            43            44            45 
      1  -0.355301D+00 -0.737783D+00  0.915272D+01  0.182235D+01 -0.505092D+00
      2  -0.405539D+01 -0.514666D+01 -0.144084D+02 -0.667005D+01 -0.122974D+02
      3  -0.360300D+01  0.191458D+01  0.164708D+01  0.321196D+01  0.375371D+01
                46            47            48            49            50 
      1  -0.683201D+01  0.100340D+02 -0.749913D+00  0.267217D+01 -0.637978D+01
      2   0.839444D+01  0.611509D+01 -0.839087D+01  0.515286D+01  0.239612D+00
      3   0.154459D+02  0.177836D+02  0.347965D+00  0.250631D+02  0.651315D+01
                51            52            53            54            55 
      1  -0.138675D+02  0.311898D+00 -0.253416D+01  0.946235D+01  0.425543D+01
      2  -0.198710D+01 -0.152400D+02  0.104144D+01  0.705526D+01 -0.999924D+01
      3  -0.257610D+01 -0.250672D+00  0.165637D+01 -0.128234D+01 -0.126935D+02
                56            57            58            59            60 
      1  -0.259068D+01 -0.866233D+00  0.431212D+01  0.286306D+01  0.307397D+00
      2  -0.179515D+01  0.176994D+02 -0.638000D+01  0.201764D+01  0.655529D+01
      3  -0.195805D+02 -0.228221D+01 -0.147289D+02 -0.145387D+02 -0.437775D+01
                61            62            63            64            65 
      1   0.838661D+00  0.362665D+01 -0.300067D+01 -0.413409D+01  0.510192D+01
      2  -0.303212D+00  0.178928D+01  0.133682D+02 -0.154569D+02  0.152825D+02
      3  -0.609488D+01 -0.984745D+01 -0.375098D+01 -0.174766D-01 -0.593543D+01
                66            67            68            69            70 
      1  -0.516975D+01  0.715203D+01  0.232053D+01 -0.726912D+01 -0.814093D+01
      2  -0.112186D+01  0.142058D+02  0.122544D+02  0.112713D+00 -0.150149D+02
      3  -0.107820D+02  0.532857D+01 -0.106119D+02 -0.180097D+02 -0.120919D+02
                71            72            73            74            75 
      1  -0.117092D+01  0.401320D+01 -0.125979D+01  0.498531D+01 -0.553859D+01
      2   0.351632D+01  0.645249D+01  0.692639D+01  0.233126D+01  0.131929D+02
      3  -0.164699D+02  0.312068D+01 -0.222302D+01 -0.125343D+02  0.327501D+00
                76            77            78            79            80 
      1   0.164366D+01  0.253976D+01  0.466177D+01 -0.404993D+01  0.942608D+01
      2   0.475879D+00  0.417074D+01 -0.543981D+01  0.542357D+01 -0.800945D+01
      3  -0.551021D+01 -0.141540D+02 -0.942514D+01  0.149083D+01 -0.822852D+01
                81            82            83            84            85 
      1   0.428891D+00 -0.278578D+01 -0.120281D+02  0.837453D+01 -0.128612D+02
      2  -0.119484D+02  0.771952D+01  0.566310D+01 -0.319461D+01  0.819888D+01
      3   0.122053D+02  0.841448D+00 -0.934300D+01 -0.399800D+01  0.407382D+01
                86            87            88            89            90 
      1   0.111950D+01 -0.404842D+01  0.830930D+01  0.260476D+01  0.997834D-02
      2   0.686033D+01  0.166239D+01 -0.241580D+01  0.361301D+01 -0.272524D+01
      3   0.162715D+02  0.481180D+01  0.448994D+00  0.103291D+02 -0.975614D+01
                91            92            93            94            95 
      1   0.195563D+01 -0.628691D+01  0.342704D+01  0.398287D+01 -0.733442D+01
      2   0.274331D+01 -0.979141D+00  0.192256D+02  0.309889D+00  0.953771D+01
      3   0.659764D+01 -0.106059D+02 -0.191500D+01  0.376724D+00 -0.157805D+02
                96            97            98            99           100 
      1  -0.100951D+02 -0.113384D+01  0.238100D+01  0.411195D+01 -0.903772D+00
      2  -0.101412D+02  0.801251D+01 -0.766416D+01  0.223529D+01 -0.420276D+01
      3  -0.595094D+01 -0.132183D+01 -0.717676D+00  0.564936D+01  0.700459D+01
               101           102           103           104           105 
      1   0.177134D+01 -0.198381D+01  0.453147D+00 -0.446565D-02 -0.138845D+01
      2  -0.251594D+00  0.506848D+01 -0.668515D+00 -0.633841D+00  0.107251D+01
      3  -0.609670D+01  0.964227D+00 -0.494082D+00  0.967149D-01  0.466402D+00
               106           107           108           109           110 
      1  -0.106487D+01 -0.400116D-01 -0.756640D+00 -0.788940D+00 -0.165460D+01
      2   0.115159D+01  0.136129D+01  0.233006D+01  0.435148D+01 -0.167848D+01
      3   0.442310D+00  0.491139D+00 -0.376024D+00 -0.231150D+01  0.247074D+01
               111           112           113           114           115 
      1   0.264589D+01 -0.720725D+00 -0.783969D+00 -0.202247D+01  0.659426D+00
      2  -0.654495D+01 -0.799908D+00  0.339743D+01  0.375439D+01 -0.571341D+01
      3   0.241527D+01  0.243336D+01 -0.155441D+01 -0.243547D+01  0.220906D+01
               116           117           118           119           120 
      1   0.185370D+01 -0.768187D+01  0.461435D+00  0.447212D+00  0.116232D+00
      2   0.557618D+01  0.211397D+02 -0.178320D+01 -0.568088D+00  0.481548D+00
      3  -0.436175D+01 -0.622355D+01  0.558831D+00 -0.110195D+01 -0.275180D+00
               121           122           123           124           125 
      1   0.157037D+01  0.208047D+01  0.746344D+00 -0.390477D+00  0.471800D+01
      2  -0.180971D+01 -0.585047D+00 -0.186237D+01 -0.401361D+01 -0.921325D+00
      3   0.184078D+01  0.486893D+00  0.870260D+00 -0.169662D+00  0.483212D+00
               126           127           128           129           130 
      1   0.313754D+01 -0.690144D+00  0.338938D+01  0.205045D+01  0.174921D+01
      2  -0.616381D+01 -0.149623D+01  0.365132D+00  0.385686D+00 -0.960815D+00
      3   0.144386D+01 -0.879665D+01  0.969258D+01  0.398098D+00  0.914722D+01
               131           132           133           134           135 
      1  -0.514160D+01 -0.478682D+01 -0.952536D-01 -0.236945D+01 -0.171559D+01
      2  -0.132874D+01  0.277535D+00 -0.711710D+00  0.143287D+01  0.578393D+00
      3  -0.181096D+02 -0.510894D+00  0.194720D+01 -0.415849D+01 -0.169060D+01
               136           137           138           139           140 
      1   0.343779D+01  0.158791D+01 -0.575676D+01  0.165214D+01  0.184325D+01
      2  -0.258444D+00 -0.149556D+01  0.457831D+01 -0.224042D+01 -0.207678D+01
      3   0.393519D+01 -0.193737D+01 -0.143873D+01  0.441357D-01 -0.284321D+01
               141           142           143           144           145 
      1  -0.257550D+01 -0.559034D+01 -0.848622D+00  0.955168D+01  0.185917D+01
      2   0.217126D+01 -0.317707D+00  0.252337D+01 -0.613358D+01 -0.271225D+01
      3   0.481884D+00 -0.443669D+01  0.129256D+01  0.147121D+01 -0.416543D+01
               146           147           148           149           150 
      1   0.645309D+00  0.316880D+01 -0.272932D-01 -0.125879D+01 -0.152954D+01
      2  -0.980087D+00  0.344381D+01  0.189592D+01  0.601131D+00 -0.214078D+00
      3  -0.264235D+01 -0.633281D+00  0.178416D+01  0.252470D+01  0.266364D-01
               151           152           153           154           155 
      1   0.144484D+01  0.557717D+00  0.420526D+01 -0.227623D+01 -0.481620D+01
      2  -0.250245D+01 -0.448237D+00  0.375066D+01  0.253684D+01  0.180213D+01
      3  -0.291414D+01 -0.113458D+00 -0.673320D+00  0.723754D+01  0.577605D+01
               156           157           158           159           160 
      1  -0.290374D+01 -0.329460D+01 -0.106384D+02 -0.529044D+01 -0.203550D+01
      2   0.166925D+00  0.138401D+01  0.296964D+01  0.221341D-01 -0.102599D+01
      3   0.858906D+00  0.729398D+01  0.139318D+02  0.135125D+01  0.330775D+01
               161           162           163           164           165 
      1  -0.366438D+01 -0.387595D+01  0.642432D+01 -0.454753D+01 -0.450642D+01
      2   0.416417D+00 -0.177937D+00  0.126335D+02 -0.254593D+01 -0.559580D+01
      3   0.581742D+01  0.210784D+01  0.598969D+01 -0.108087D+01 -0.336100D+01
               166           167           168           169           170 
      1  -0.447525D+01  0.321941D+01  0.182639D+01 -0.505651D+01  0.386080D+01
      2  -0.590129D+01  0.239481D+01  0.343025D+01 -0.901259D+01  0.205714D+01
      3   0.102350D+00  0.831442D+00  0.121717D+01 -0.335584D+01  0.171182D+01
               171           172           173           174           175 
      1   0.678759D+01  0.552203D+00  0.442358D+00 -0.107544D+01  0.106756D+00
      2   0.857067D+01 -0.183225D+01 -0.476922D+01 -0.283507D+01 -0.250456D+01
      3   0.340899D+01  0.453304D+01  0.644920D+01  0.417861D+01  0.286839D+01
               176           177           178           179           180 
      1   0.215789D+01 -0.276291D+01  0.614053D+00  0.134629D+01 -0.252834D+01
      2  -0.101631D+02 -0.737873D+01 -0.966545D+00 -0.745236D+01 -0.819894D+01
      3   0.198127D+02  0.100587D+02  0.217773D+01  0.101114D+02  0.716973D+01
               181           182           183           184           185 
      1   0.464700D+01 -0.209726D+01  0.349572D+01 -0.252580D+01  0.132774D+01
      2   0.116104D+02 -0.519822D+01  0.917054D+01 -0.433137D+01  0.201680D+01
      3  -0.532302D+00 -0.533725D+01  0.858433D+00 -0.276195D+01  0.488187D+01
               186           187           188           189           190 
      1  -0.182671D+01  0.305122D+01 -0.315065D+00  0.276586D+01 -0.255603D+01
      2  -0.318490D+01  0.809445D+01 -0.332702D+01  0.751248D+01 -0.204971D+01
      3   0.398913D+00  0.194133D+01 -0.290523D+01  0.339107D+00 -0.422950D+01
               191           192           193           194           195 
      1  -0.229087D+01  0.262662D+01 -0.237986D+01 -0.627497D+01  0.374532D+01
      2  -0.241803D+01  0.488594D+01 -0.308018D+01 -0.541726D+01  0.750458D+01
      3  -0.373267D+01  0.468399D+01 -0.292475D+01 -0.929036D+01  0.735179D+01
               196           197           198           199           200 
      1   0.365286D+01  0.615781D+01 -0.607962D+01  0.120087D+00 -0.416045D+00
      2   0.427591D+01  0.417840D+01 -0.128447D+02  0.292966D+00  0.210342D+00
      3   0.475260D+01  0.812636D+01 -0.704967D+01  0.941172D+00  0.585021D+00
               201           202           203           204           205 
      1   0.456951D+00 -0.415010D+01 -0.475099D+00 -0.217304D+01  0.150444D+01
      2  -0.152965D+00 -0.147537D+01 -0.149148D+01 -0.638435D+00 -0.273374D+01
      3   0.791412D+00  0.221933D+01 -0.188780D+00 -0.965697D-02  0.188550D+01
               206           207           208           209           210 
      1   0.181853D+01 -0.345188D+01  0.830621D+00 -0.432928D+00 -0.268828D-01
      2   0.235620D+00 -0.226412D+01  0.112300D+01 -0.869762D-01  0.556082D+00
      3   0.738446D+00 -0.859398D-01 -0.156717D+01 -0.614983D+00 -0.394005D+00
               211           212           213           214           215 
      1  -0.162022D+01  0.142307D+01  0.277482D-01  0.548180D+00  0.398211D+01
      2  -0.341866D-01  0.311742D+01  0.452573D+01 -0.360165D+01  0.392545D+01
      3   0.322457D+01 -0.206497D+01 -0.301572D+01 -0.608575D+00 -0.326270D+01
               216           217           218           219           220 
      1  -0.142547D+00 -0.209298D+00  0.247854D+01  0.517506D+00 -0.104636D+01
      2   0.126436D+02 -0.116868D+01 -0.262167D+01 -0.313540D+01 -0.227620D+00
      3  -0.462006D+01  0.222943D+01  0.428295D+01  0.142719D+01  0.105387D+01
               221           222           223           224           225 
      1   0.124487D+02  0.175121D+01  0.184043D+01  0.913012D+00  0.648955D+00
      2  -0.745083D+01 -0.502118D+01 -0.268456D+00 -0.250111D+01 -0.355530D+01
      3   0.254319D+02  0.621965D+01  0.182791D+01  0.150796D+01  0.262162D+01
               226           227           228           229           230 
      1  -0.622945D+00  0.253299D+01 -0.382448D+01 -0.293922D+00 -0.322481D+01
      2  -0.643142D+01  0.364949D+01 -0.120970D+02  0.262159D+01 -0.788418D+01
      3  -0.255363D+01  0.252956D+01 -0.149506D+01  0.132271D+01 -0.323194D+01
               231           232           233           234           235 
      1   0.440980D+01 -0.211286D+01  0.404033D+01 -0.590691D+01 -0.130877D+01
      2   0.105117D+02 -0.636559D+01  0.613799D+01 -0.201541D+02  0.185093D+01
      3   0.598612D+01 -0.955070D+00  0.408123D+01 -0.467448D+01 -0.394589D+01
               236           237           238           239           240 
      1  -0.191838D+01  0.717630D+00 -0.643732D+00  0.165871D+00 -0.111729D+00
      2   0.303648D+00  0.564020D+01 -0.341185D+00 -0.113668D+01  0.186725D+01
      3  -0.591952D+01  0.114881D+01 -0.228865D+01  0.456239D+00  0.152292D+01
               241           242           243 
      1   0.602679D+00  0.137140D+01 -0.767514D+00
      2  -0.255752D+00  0.101978D+01 -0.215417D+01
      3   0.148880D+01  0.143105D+01 -0.148512D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.101092D+02  0.547046D+01 -0.670302D+01  0.117782D+01  0.723652D+01
      2   0.133932D+01 -0.194046D+02 -0.536723D+01 -0.135216D+02 -0.179225D+02
      3  -0.114485D+02  0.139341D+02  0.120702D+02  0.123438D+02  0.106860D+02
      4   0.117922D+02 -0.506982D+01  0.227275D+02 -0.206818D+01  0.680684D+01
      5  -0.180002D+02  0.185325D+02 -0.140292D+02  0.176728D+02  0.410755D+01
      6   0.140689D+02 -0.126499D+02  0.122341D+02 -0.828040D+01 -0.350940D+01
                 6             7             8             9            10 
      1   0.204683D+02 -0.665800D+01  0.206417D+02 -0.149215D+01 -0.691587D+01
      2  -0.132750D+02 -0.707251D+01 -0.165512D+02  0.710738D+01  0.106866D+02
      3  -0.719328D+01  0.137305D+02 -0.409056D+01 -0.561523D+01 -0.377070D+01
      4  -0.633901D+01  0.233783D+02 -0.878878D+01  0.438255D+01 -0.180348D+02
      5   0.634199D+01 -0.135699D+02  0.969520D+01 -0.843611D+01  0.102349D+02
      6   0.446774D+01  0.105425D+02  0.313840D+01  0.141876D+01 -0.135475D+02
                11            12            13            14            15 
      1  -0.224796D+01  0.770917D+01 -0.627110D+01 -0.118096D+02 -0.205114D+02
      2   0.488351D+01  0.529260D+00  0.430150D+01  0.145239D+02  0.720938D+01
      3  -0.263555D+01 -0.823843D+01  0.196959D+01 -0.271432D+01  0.133020D+02
      4   0.102908D+01 -0.207343D+02  0.500996D+01 -0.270440D+02 -0.649547D+01
      5  -0.169439D+02 -0.297113D+01 -0.188063D+02 -0.165996D+02  0.101263D+01
      6   0.899985D+01 -0.436080D+01 -0.287492D+01 -0.225504D+01 -0.646817D+01
                16            17            18            19            20 
      1   0.463804D+01 -0.196011D+02 -0.394714D+01  0.534638D+02  0.114103D+02
      2   0.877079D+01  0.103028D+02 -0.298490D+01 -0.488406D+02 -0.156147D+02
      3  -0.134088D+02  0.929832D+01  0.693204D+01 -0.462328D+01  0.420441D+01
      4  -0.322578D+02 -0.372339D+00 -0.599928D+00  0.104612D+02 -0.109244D+02
      5  -0.580211D+01  0.889667D+00  0.203459D+01  0.176851D+02  0.571290D+01
      6  -0.537520D+01 -0.321305D+01  0.113557D+01  0.137157D+02 -0.551433D+00
                21            22            23            24            25 
      1   0.356535D+01  0.214743D+02  0.818251D+01  0.716510D+01  0.198846D+01
      2  -0.314044D+01 -0.203858D+02 -0.130788D+02  0.292107D+01 -0.698976D+01
      3  -0.424911D+00 -0.108843D+01  0.489631D+01 -0.100862D+02  0.500129D+01
      4   0.643074D+01 -0.342438D+02 -0.483577D+01 -0.299898D+01  0.164611D+02
      5   0.456096D+01  0.603054D+01  0.570781D+01  0.440798D+01  0.447260D+01
      6   0.336188D+01  0.867418D+01  0.736721D+01  0.735945D+00  0.391918D+01
                26            27            28            29            30 
      1   0.972974D+01  0.149499D+02 -0.133188D+03 -0.130384D+02 -0.425301D+01
      2  -0.184863D+01  0.635722D+01  0.907103D+02  0.880997D+01  0.470804D+01
      3  -0.788111D+01 -0.213071D+02  0.424779D+02  0.422838D+01 -0.455031D+00
      4  -0.557730D+01  0.938027D+01 -0.143815D+02 -0.844463D+01 -0.459471D+00
      5   0.587192D+01  0.605353D+01 -0.364685D+02 -0.252475D+01 -0.124766D+02
      6  -0.625441D+00 -0.203758D+01 -0.194288D+02 -0.514497D+01  0.897487D-01
                31            32            33            34            35 
      1  -0.381721D+02 -0.263445D+02  0.351027D+01 -0.311944D+02 -0.144960D+00
      2   0.276968D+02  0.229812D+02 -0.318666D+01  0.183848D+02 -0.217450D+01
      3   0.104753D+02  0.336337D+01 -0.323615D+00  0.128096D+02  0.231946D+01
      4  -0.109845D+02 -0.102029D+02  0.129810D+01 -0.654470D+01  0.240579D+01
      5  -0.906967D+01 -0.479932D+01  0.154331D+00 -0.112525D+02  0.159029D+01
      6  -0.649119D+01 -0.869698D+01  0.394511D+01 -0.173820D+01  0.157575D+01
                36            37            38            39            40 
      1  -0.114511D+02  0.180551D+03  0.288491D+02  0.180945D+02  0.331458D+02
      2   0.158424D+01 -0.110987D+03 -0.178713D+02 -0.116952D+02 -0.171722D+02
      3   0.986683D+01 -0.695638D+02 -0.109778D+02 -0.639928D+01 -0.159736D+02
      4   0.752178D+00  0.329062D+02  0.161515D+02  0.542580D+00  0.325123D+02
      5   0.198061D+01  0.558960D+02  0.463422D+01  0.125167D+02  0.420357D+01
      6  -0.467986D+01  0.204614D+02  0.482782D+01  0.605938D-01  0.969817D+01
                41            42            43            44            45 
      1   0.610612D+01  0.909411D+01  0.109793D+02  0.908928D+01  0.135752D+02
      2   0.118260D+01  0.235353D+01 -0.126547D+02 -0.295018D+01 -0.182279D+01
      3  -0.728872D+01 -0.114476D+02  0.167544D+01 -0.613910D+01 -0.117525D+02
      4   0.733855D+01  0.287081D+01 -0.747859D+01 -0.411428D+01 -0.946470D+01
      5   0.286286D+01 -0.118884D+02  0.155788D+02 -0.841756D+01 -0.126640D+02
      6   0.110349D+01  0.363224D+01  0.412602D+00  0.947623D+00 -0.939260D+01
                46            47            48            49            50 
      1  -0.174524D+03 -0.313861D+02 -0.353667D+02 -0.588349D+02 -0.169204D+02
      2   0.967147D+02  0.143380D+02  0.193475D+02  0.312407D+02  0.117263D+02
      3   0.778091D+02  0.170480D+02  0.160192D+02  0.275942D+02  0.519411D+01
      4  -0.542584D+02 -0.278881D+02 -0.106528D+02 -0.977414D+01 -0.996100D+01
      5  -0.747949D+02 -0.146646D+02 -0.287440D+02 -0.276981D+02 -0.268334D+01
      6  -0.198707D+02 -0.321577D+01 -0.535910D+01 -0.477428D+00 -0.578204D+01
                51            52            53            54            55 
      1  -0.113776D+02 -0.536733D+02 -0.130389D+02 -0.166522D+02  0.197468D+03
      2   0.912487D+01  0.214020D+02  0.128138D+01  0.131927D+02 -0.104375D+03
      3   0.225277D+01  0.322714D+02  0.117575D+02  0.345950D+01 -0.930928D+02
      4  -0.112752D+01 -0.224753D+02 -0.552848D+00  0.501575D+01  0.488240D+02
      5   0.330005D+01 -0.223591D+02  0.554035D+01  0.161110D+02  0.714293D+02
      6   0.197528D+01  0.233159D+01 -0.417835D+01 -0.385525D+01  0.117802D+02
                56            57            58            59            60 
      1   0.319480D+02  0.367657D+02  0.640437D+02  0.296393D+02  0.510595D+01
      2  -0.123362D+02 -0.239263D+02 -0.288755D+02 -0.687292D+01 -0.936993D+00
      3  -0.196118D+02 -0.128394D+02 -0.351682D+02 -0.227664D+02 -0.416895D+01
      4   0.350043D+02  0.100543D+02  0.561535D+02  0.350032D+02  0.169097D+02
      5   0.123147D+02  0.400246D+02  0.207802D+02  0.188191D+02  0.968717D+01
      6   0.652316D+01  0.466721D+01  0.116912D+02  0.877222D+01  0.979368D+01
                61            62            63            64            65 
      1   0.968597D+02  0.125116D+02  0.274418D+02 -0.309538D+02  0.158674D+02
      2  -0.590362D+02 -0.529190D+01 -0.248535D+02  0.957064D+01 -0.527251D+01
      3  -0.378234D+02 -0.721967D+01 -0.258825D+01  0.213832D+02 -0.105949D+02
      4   0.241632D+02  0.145182D+02  0.112688D+02  0.198105D+02 -0.129969D+01
      5   0.671667D+02  0.135341D+02  0.408410D+02 -0.183658D+02  0.243847D+02
      6   0.116053D+02  0.102929D+02  0.518415D+01  0.106003D+02 -0.112337D+02
                66            67            68            69            70 
      1  -0.149071D+02  0.932252D+01  0.100021D+02  0.336921D+02 -0.249533D+02
      2  -0.113031D+01  0.164733D+01 -0.676615D+01 -0.256664D+02  0.832266D+00
      3   0.160374D+02 -0.109698D+02 -0.323595D+01 -0.802571D+01  0.241210D+02
      4   0.293210D+02 -0.753288D+01  0.115562D+02  0.113594D+02  0.365403D+02
      5   0.583919D-01  0.246452D+02  0.166310D+02 -0.125405D+02 -0.321022D+01
      6  -0.465844D+01 -0.699378D+01 -0.123473D+02 -0.659216D+01 -0.292006D+01
                71            72            73            74            75 
      1   0.350290D+02 -0.533613D+01 -0.485350D+02 -0.175782D+02 -0.137194D+02
      2  -0.261278D+02  0.610315D+01  0.203637D+02  0.793159D+01 -0.240448D+01
      3  -0.890120D+01 -0.767019D+00  0.281712D+02  0.964664D+01  0.161238D+02
      4   0.739372D+01 -0.444255D+01 -0.242286D+02 -0.275608D+00 -0.375432D+01
      5  -0.888195D+01  0.106398D+02 -0.167673D+02 -0.428202D+01  0.953812D+01
      6  -0.704947D+01 -0.790613D-01 -0.381326D+01 -0.304314D+01  0.793824D+01
                76            77            78            79            80 
      1  -0.149917D+02  0.814719D+01 -0.280378D+01 -0.433495D+01 -0.131234D+01
      2   0.111252D+02 -0.147015D+01  0.105911D+02 -0.504854D+01  0.735814D+01
      3   0.386652D+01 -0.667705D+01 -0.778736D+01  0.938349D+01 -0.604580D+01
      4   0.883931D+01  0.288094D+02  0.108744D+02 -0.514003D+00  0.268540D+01
      5  -0.554085D+01  0.179309D+02 -0.811207D+01  0.120450D+02 -0.890565D+01
      6   0.422521D+01  0.979927D+01 -0.137998D+01  0.622026D+01 -0.369703D+01
                81            82            83            84            85 
      1   0.223621D+02 -0.114740D+02 -0.132681D+02 -0.834120D+01 -0.163757D+02
      2  -0.456897D+01  0.170241D+02  0.300870D+02  0.103669D+02  0.281083D+02
      3  -0.177931D+02 -0.555010D+01 -0.168189D+02 -0.202567D+01 -0.117325D+02
      4  -0.477270D+01  0.665492D+01  0.956345D+01  0.958653D+01  0.223411D+02
      5  -0.847359D+01  0.719132D+00  0.936978D+01 -0.171834D+02  0.732983D+01
      6  -0.100890D+02  0.502722D+00  0.878032D+01 -0.154733D+02  0.153403D+01
                86            87            88            89            90 
      1   0.116970D+02  0.682307D+01 -0.278447D+02  0.662235D+01 -0.113282D+02
      2  -0.127622D+02 -0.591529D+01  0.274000D+02 -0.451208D+01  0.814065D+01
      3   0.106514D+01 -0.907780D+00  0.444718D+00 -0.211027D+01  0.318752D+01
      4   0.108718D+02  0.579401D+01  0.174498D+02  0.124698D+02 -0.107509D+02
      5  -0.234325D+01 -0.690375D+00 -0.254149D+02 -0.690126D+01  0.595901D+01
      6  -0.478509D+01 -0.151853D+01 -0.203684D+02 -0.410498D+01  0.662458D+01
                91            92            93            94            95 
      1  -0.600355D+02 -0.344392D+01  0.340578D+02 -0.114440D+02  0.237174D+02
      2   0.366186D+02 -0.380870D+01 -0.991508D+01  0.414586D+01 -0.189468D+02
      3   0.234169D+02  0.725262D+01 -0.241427D+02  0.729810D+01 -0.477061D+01
      4  -0.250164D+01  0.156691D+02  0.140132D+01  0.907098D+01  0.238364D+02
      5   0.306317D+02  0.310551D+01  0.112904D+02  0.635597D+01  0.426560D+01
      6   0.202282D+01 -0.724395D+01  0.143319D+01 -0.399392D+01 -0.107328D+02
                96            97            98            99           100 
      1  -0.238804D+01  0.190822D+02 -0.442051D+01  0.158331D+02  0.825913D+02
      2  -0.108353D+02 -0.378184D+01 -0.382120D+01 -0.863402D+01 -0.397188D+02
      3   0.132233D+02 -0.153004D+02  0.824170D+01 -0.719909D+01 -0.428726D+02
      4   0.706248D+01  0.318553D+01  0.155371D+01 -0.131673D+02  0.366286D+02
      5  -0.125616D+02  0.144762D+02 -0.115070D+02 -0.122505D+02  0.255890D+02
      6  -0.413927D+01 -0.989036D+00  0.172668D+01  0.112844D+02  0.796004D+01
               101           102           103           104           105 
      1   0.159038D+02  0.135423D+02  0.713115D+01  0.765875D+01  0.995721D+00
      2  -0.439142D+01 -0.803487D+01 -0.140753D+00  0.175453D+00 -0.112071D+01
      3  -0.115124D+02 -0.550747D+01 -0.699040D+01 -0.783421D+01  0.124991D+00
      4   0.203538D+02  0.801196D+01  0.166161D+02  0.776482D+01  0.271032D+01
      5   0.680839D+01  0.143029D+02  0.328499D+01  0.210646D+01  0.236128D+01
      6   0.453884D+01  0.431921D+01  0.321665D+01  0.599204D+00  0.280484D+01
               106           107           108           109           110 
      1   0.370605D+01  0.963511D+00  0.533406D+01  0.310058D+00  0.588423D+01
      2  -0.334427D+01 -0.238623D+01 -0.479583D+01 -0.223758D+01 -0.338166D+01
      3  -0.361783D+00  0.142272D+01 -0.538226D+00  0.192752D+01 -0.250256D+01
      4   0.265866D+01 -0.933320D-01  0.541957D+01  0.226000D+01 -0.170657D+01
      5   0.119933D+02  0.441443D+01  0.699915D+01  0.307449D+01  0.887030D-01
      6   0.342595D+01  0.266888D+01  0.352439D+01  0.373119D+01 -0.333314D+01
               111           112           113           114           115 
      1   0.107587D+02  0.264858D+01 -0.761115D+01 -0.479544D+01  0.768094D+01
      2  -0.124905D+00 -0.189084D+01  0.334472D+01  0.195388D+01 -0.358160D+01
      3  -0.106338D+02 -0.757746D+00  0.426643D+01  0.284155D+01 -0.409934D+01
      4   0.124673D+01  0.169769D+01  0.172837D+01  0.379846D+01  0.365926D+01
      5  -0.361779D+01  0.164584D+01  0.260653D+01  0.560160D+01  0.477970D+01
      6  -0.606453D+01 -0.765721D+00  0.608895D+01  0.106972D+02  0.706188D+00
               116           117           118           119           120 
      1  -0.764371D+01 -0.238804D+02  0.975379D-01 -0.131576D+00 -0.191794D+01
      2   0.126214D+01 -0.873906D+01 -0.385575D+01 -0.203676D+00 -0.895977D-01
      3   0.638157D+01  0.326195D+02  0.375821D+01  0.335253D+00  0.200754D+01
      4   0.836247D+01  0.806021D+01 -0.129214D+01  0.271317D+01  0.411088D+00
      5   0.936505D+01  0.291539D+02 -0.618614D+00  0.139275D+01  0.650580D+01
      6   0.114122D+02  0.223488D+02  0.134884D+01  0.212303D+00 -0.388763D-01
               121           122           123           124           125 
      1   0.140203D+01 -0.667117D+01 -0.534537D+01 -0.124071D+01 -0.273654D+01
      2  -0.824979D+00  0.184932D+01 -0.219815D+01  0.157388D+01 -0.254485D+01
      3  -0.577049D+00  0.482185D+01  0.754351D+01 -0.333170D+00  0.528140D+01
      4   0.203989D+01 -0.259702D+01 -0.226237D+01 -0.873981D-01 -0.277148D+01
      5   0.204007D+01 -0.241297D+01 -0.332385D+01  0.539690D+01 -0.261298D+01
      6  -0.113706D+00  0.217821D+01  0.686264D+01 -0.821077D+00  0.556179D+01
               126           127           128           129           130 
      1  -0.244387D+02 -0.730280D+01  0.195261D+02  0.794113D+00  0.114413D+02
      2  -0.126232D+02  0.973347D+01 -0.278369D+02 -0.149795D+01 -0.145229D+02
      3   0.370619D+02 -0.243067D+01  0.831083D+01  0.703839D+00  0.308163D+01
      4  -0.432980D+01 -0.478686D+01  0.236886D+01 -0.553678D+00  0.598476D+01
      5  -0.122590D+02  0.575704D+00 -0.794887D+00  0.154079D+01 -0.637551D+00
      6   0.210414D+01  0.354022D+00  0.119918D+00 -0.196946D+01  0.393157D+00
               131           132           133           134           135 
      1  -0.357282D+02 -0.456797D+00  0.395404D+01 -0.615988D+01 -0.439656D+01
      2   0.551914D+02  0.160751D+01 -0.367710D+01  0.952015D+01  0.553303D+01
      3  -0.194631D+02 -0.115072D+01 -0.276932D+00 -0.336027D+01 -0.113648D+01
      4   0.829494D+01 -0.534382D+00  0.135589D+00  0.143746D+01  0.213359D+01
      5   0.188042D+00  0.231318D+01  0.348242D+01  0.272937D+01  0.441338D-01
      6  -0.740651D+00  0.721816D+01  0.847089D+00  0.882865D+01  0.148714D+01
               136           137           138           139           140 
      1   0.112393D+02  0.145847D+01 -0.242388D+01  0.359772D+01 -0.528239D+01
      2  -0.487860D+01  0.167985D+01  0.783951D+00 -0.918565D+00  0.925261D+01
      3  -0.636067D+01 -0.313831D+01  0.163993D+01 -0.267916D+01 -0.397022D+01
      4   0.174525D+02  0.139010D+02 -0.116898D+02  0.103164D+02  0.114311D+02
      5  -0.175951D+02 -0.100491D+02  0.178483D+02 -0.566684D+01 -0.891715D+01
      6  -0.108090D+02 -0.905233D+01  0.121637D+02 -0.651165D+01 -0.103544D+02
               141           142           143           144           145 
      1   0.265671D+01  0.124289D+01  0.676194D+01 -0.603415D+01  0.144969D+02
      2  -0.430420D+01 -0.169882D+01 -0.738209D+01 -0.229781D+01 -0.100842D+02
      3   0.164749D+01  0.455931D+00  0.620154D+00  0.833196D+01 -0.441268D+01
      4  -0.915189D+01 -0.175931D+02 -0.156015D+02  0.156993D+02 -0.250255D+02
      5   0.778434D+01  0.215554D+02  0.144249D+02 -0.256469D+02  0.270925D+02
      6   0.975668D+01  0.163164D+02  0.167889D+02 -0.232200D+02 -0.138668D+02
               146           147           148           149           150 
      1  -0.131879D+01  0.223144D+01 -0.102638D+01 -0.333535D+01  0.158595D+01
      2  -0.854075D+00 -0.602544D+01 -0.680412D+00  0.708126D+01 -0.135773D+01
      3   0.217287D+01  0.379400D+01  0.170680D+01 -0.374592D+01 -0.228224D+00
      4   0.188896D+02 -0.168636D+02  0.133793D+02 -0.140001D+02  0.103600D+02
      5  -0.144676D+02  0.239001D+02 -0.923979D+01  0.926154D+01 -0.843420D+01
      6   0.130030D+02 -0.145176D+02  0.910655D+01 -0.107613D+02  0.101060D+02
               151           152           153           154           155 
      1   0.397074D+01  0.181690D+01 -0.320413D+01 -0.642367D+01 -0.111057D+02
      2  -0.643614D+01  0.470470D+00 -0.783305D+01  0.789922D+01  0.169344D+02
      3   0.246540D+01 -0.228737D+01  0.110372D+02 -0.147555D+01 -0.582869D+01
      4  -0.139554D+02  0.104558D+02 -0.136591D+02  0.193067D+01  0.321687D+01
      5   0.202694D+02 -0.117982D+02  0.225877D+02 -0.106600D+01 -0.458676D+01
      6  -0.113769D+02  0.113315D+02 -0.162079D+02 -0.155979D+01 -0.166268D+01
               156           157           158           159           160 
      1   0.840750D+00 -0.675483D+01 -0.254640D+02 -0.157719D+01 -0.219859D+01
      2   0.233359D+01  0.103864D+02  0.419447D+02  0.562158D+01  0.370665D+01
      3  -0.317434D+01 -0.363155D+01 -0.164807D+02 -0.404439D+01 -0.150806D+01
      4  -0.127740D+01  0.449640D+01 -0.920387D+01  0.877473D+00  0.960419D-01
      5   0.971256D+00 -0.462239D+01 -0.495814D+01 -0.378276D+01  0.670085D+00
      6   0.172025D+01 -0.306992D+00 -0.610077D+01  0.596386D+01  0.309534D+00
               161           162           163           164           165 
      1  -0.937358D+01 -0.332123D+01 -0.707783D+01 -0.242737D+01  0.110754D+02
      2   0.150890D+02  0.482669D+01 -0.455007D+01  0.597776D+01  0.413236D+01
      3  -0.571544D+01 -0.150546D+01  0.116279D+02 -0.355040D+01 -0.152078D+02
      4  -0.356883D+01 -0.100795D+01  0.646664D+01 -0.122997D+01 -0.577711D+01
      5  -0.350074D+01 -0.217758D+01 -0.411012D+01 -0.750687D+00  0.302785D+01
      6   0.384483D+01  0.375689D+01 -0.223120D+01 -0.238203D+01  0.395615D+01
               166           167           168           169           170 
      1   0.176972D+01 -0.277617D+01 -0.678687D+01  0.899848D+01 -0.221510D+01
      2   0.366786D+01 -0.122302D+00 -0.200317D+01  0.405868D+01 -0.180581D+01
      3  -0.543757D+01  0.289847D+01  0.879004D+01 -0.130572D+02  0.402091D+01
      4  -0.261055D+01  0.289298D+01  0.176439D+01 -0.699333D+01  0.241944D+01
      5   0.571822D-01 -0.102017D+01  0.214778D+01  0.534828D+01 -0.155618D+01
      6  -0.198563D+01  0.305393D+01  0.957033D+00  0.149426D+01  0.369902D+01
               171           172           173           174           175 
      1  -0.153796D+02 -0.323884D+01 -0.126150D+02 -0.538689D+01 -0.907007D+01
      2  -0.880843D+01  0.323971D+01  0.102451D+02  0.295838D+01  0.357958D+01
      3   0.241880D+02 -0.871774D-03  0.236994D+01  0.242851D+01  0.549049D+01
      4   0.439792D+01 -0.124228D+01 -0.419551D+01 -0.445579D+01  0.808014D+01
      5   0.221272D+01  0.207371D+01 -0.372736D+01 -0.291209D+01  0.225600D+01
      6  -0.632169D+01  0.164759D+01  0.680832D+01  0.539849D+01 -0.662221D+00
               176           177           178           179           180 
      1  -0.224695D+02 -0.137134D+02 -0.201589D+01 -0.144244D+02 -0.104897D+02
      2   0.264974D+02  0.102774D+02  0.191990D+01  0.100142D+02  0.341784D+01
      3  -0.402791D+01  0.343598D+01  0.959943D-01  0.441027D+01  0.707187D+01
      4  -0.292331D+02 -0.139425D+02  0.182027D-01 -0.131982D+02 -0.954694D+01
      5  -0.140761D+02 -0.106132D+02  0.452422D+01 -0.960337D+01 -0.133850D+02
      6   0.209888D+02  0.150020D+02 -0.116400D+00  0.147811D+02  0.132464D+02
               181           182           183           184           185 
      1   0.718023D+02 -0.189974D+02  0.136712D+02 -0.165831D+02  0.913649D+01
      2  -0.290080D+02  0.358324D+01 -0.387652D+01  0.138119D+01  0.123788D+01
      3  -0.427943D+02  0.154141D+02 -0.979464D+01  0.152019D+02 -0.103744D+02
      4  -0.381427D+02  0.204456D+02 -0.879106D+01  0.231474D+02 -0.174617D+02
      5   0.827518D+01 -0.421577D+01  0.123186D+02 -0.404500D+01  0.121803D+01
      6  -0.357251D+01  0.148267D+01 -0.358613D+01  0.123649D+01  0.237403D+00
               186           187           188           189           190 
      1  -0.557327D+01  0.314315D+02 -0.102733D+02  0.114229D+02  0.188628D+02
      2   0.168877D+01 -0.107184D+02  0.229129D+01 -0.517207D+01 -0.132712D+02
      3   0.388450D+01 -0.207130D+02  0.798203D+01 -0.625087D+01 -0.559157D+01
      4   0.389247D+01 -0.216757D+02  0.120670D+02 -0.733137D+01  0.217351D+01
      5  -0.295798D+01  0.133012D+02 -0.430090D+01  0.116309D+02 -0.141237D+02
      6   0.366227D+01 -0.458002D+01  0.364062D+01 -0.488232D+01 -0.141164D+01
               191           192           193           194           195 
      1   0.462125D+01 -0.927602D+01  0.140346D+02  0.313583D+01 -0.951464D+01
      2  -0.471426D+01  0.101532D+02 -0.113647D+02 -0.493595D+01  0.126766D+02
      3   0.930076D-01 -0.877141D+00 -0.266994D+01  0.180013D+01 -0.316200D+01
      4   0.551122D+01 -0.590258D+01  0.586165D+01  0.134619D+02 -0.945749D+01
      5  -0.834167D+01  0.149882D+02 -0.153593D+02 -0.114252D+02  0.182464D+02
      6  -0.188317D+00  0.222943D+00 -0.298287D+00 -0.357866D+01  0.301591D+01
               196           197           198           199           200 
      1  -0.107875D+02 -0.639005D+01  0.792672D+01 -0.188374D+00 -0.182026D+01
      2   0.136008D+02  0.976203D+01 -0.186970D+02  0.155150D+01  0.156475D+01
      3  -0.281323D+01 -0.337198D+01  0.107702D+02 -0.136312D+01  0.255515D+00
      4  -0.576782D+01 -0.100704D+02  0.727113D+01 -0.103680D+01  0.147185D+01
      5   0.216617D+02  0.108954D+02 -0.321397D+02 -0.340452D+01  0.105034D+01
      6  -0.516502D+00  0.482509D+01  0.683688D+00  0.703728D+00 -0.531623D-01
               201           202           203           204           205 
      1  -0.200699D+01 -0.222048D+01 -0.563639D+00 -0.459652D+01 -0.310284D+01
      2   0.170492D+01 -0.155469D+01  0.787858D+00  0.252449D+01  0.258654D+01
      3   0.302075D+00  0.377518D+01 -0.224219D+00  0.207203D+01  0.516301D+00
      4   0.188533D+01  0.708571D+00 -0.848308D+00 -0.220715D+01  0.237451D+01
      5   0.399316D+01  0.468068D+00 -0.606941D+00 -0.203257D+01  0.336532D+01
      6  -0.288858D+00 -0.607349D+00  0.344821D+01  0.317240D+01  0.136072D+00
               206           207           208           209           210 
      1  -0.518362D+01 -0.801597D+01 -0.818437D+00  0.122719D+01  0.293662D+01
      2   0.394356D+01  0.159068D+01 -0.180740D+01 -0.629923D+00 -0.924251D+00
      3   0.124006D+01  0.642530D+01  0.262583D+01 -0.597264D+00 -0.201237D+01
      4  -0.216989D+01 -0.396387D+01  0.150987D+01  0.183938D+01  0.191465D+01
      5  -0.324399D+01 -0.687103D+01  0.306802D+01  0.219589D+01  0.634747D+01
      6   0.418010D+01  0.655229D+01  0.207267D+01 -0.817279D-01  0.541619D+00
               211           212           213           214           215 
      1   0.228368D+01 -0.685046D+01 -0.834829D+01  0.334346D+01 -0.780424D+01
      2  -0.316924D+01  0.167632D+01 -0.154216D+00 -0.288756D+01  0.724712D+00
      3   0.885564D+00  0.517414D+01  0.850250D+01 -0.455896D+00  0.707953D+01
      4  -0.475132D+00  0.341158D+01  0.424355D+01  0.236840D+01  0.438946D+01
      5   0.299734D+01  0.509853D+01  0.867939D+01  0.469583D+01  0.693430D+01
      6  -0.496496D+00  0.555790D+01  0.705739D+01  0.157565D+01  0.787712D+01
               216           217           218           219           220 
      1  -0.245911D+02  0.344142D+01 -0.847708D+01 -0.600694D+01 -0.101767D+02
      2  -0.651419D+01 -0.105963D+00  0.670552D+01  0.160633D+01  0.498784D+01
      3   0.311053D+02 -0.333546D+01  0.177156D+01  0.440061D+01  0.518889D+01
      4   0.574349D+01 -0.301998D+01 -0.330292D+01 -0.146855D+01  0.700083D+01
      5   0.229037D+02 -0.973355D+00  0.182721D+00 -0.401461D+01  0.774654D+01
      6   0.976840D+01  0.192150D+01  0.379690D+01  0.177651D+01 -0.196079D+01
               221           222           223           224           225 
      1  -0.209509D+02 -0.387087D+01 -0.465997D+01 -0.307810D+01 -0.674772D+01
      2   0.282741D+02  0.269152D+01  0.246873D+01  0.109928D+00  0.236165D+01
      3  -0.732313D+01  0.117935D+01  0.219124D+01  0.296817D+01  0.438607D+01
      4  -0.436292D+02 -0.112025D+02 -0.110907D+01 -0.282116D+01 -0.418939D+01
      5  -0.863361D+01 -0.114683D+02  0.117273D+01 -0.399378D+01 -0.384912D+01
      6   0.201577D+02  0.100428D+02 -0.223399D+00  0.689745D+01  0.286320D+01
               226           227           228           229           230 
      1  -0.466360D+01  0.652352D+01 -0.162651D+02  0.773859D+01 -0.116307D+02
      2  -0.992565D+00 -0.113963D+01 -0.220878D+00 -0.371905D+01  0.402949D+01
      3   0.565616D+01 -0.538389D+01  0.164859D+02 -0.401954D+01  0.760116D+01
      4   0.406188D+01 -0.529616D+01  0.126542D+01 -0.133411D+01  0.481876D+01
      5  -0.511260D+00 -0.332897D+00 -0.935040D+01 -0.318788D+01 -0.667145D+01
      6  -0.282139D+01  0.439912D+01 -0.269163D+01  0.178660D+01 -0.574729D+01
               231           232           233           234           235 
      1   0.904371D+01 -0.164548D+02  0.744705D+01 -0.225068D+02  0.843561D+02
      2   0.339562D+01  0.604269D+01  0.166729D+01 -0.775875D+01 -0.474638D+02
      3  -0.124393D+02  0.104121D+02 -0.911433D+01  0.302656D+02 -0.368922D+02
      4  -0.846498D+01  0.321168D+01 -0.812210D+01  0.722461D+01 -0.743153D+01
      5   0.127856D+02  0.270040D+01  0.582446D+01 -0.231787D+02 -0.444963D+02
      6   0.917862D+01 -0.194286D+01  0.677425D+01 -0.656566D+01  0.408824D-01
               236           237           238           239           240 
      1  -0.767332D+00 -0.227366D+02  0.567642D+01  0.646519D+01 -0.139509D+01
      2  -0.314436D+00  0.163829D+02 -0.346082D+01 -0.231124D+01  0.214358D+01
      3   0.108177D+01  0.635376D+01 -0.221560D+01 -0.415395D+01 -0.748484D+00
      4   0.114302D+02  0.195172D+01  0.108546D+02 -0.145993D+01 -0.458206D+01
      5   0.279380D+00  0.242376D+02 -0.364040D+01 -0.565681D+01  0.358207D+01
      6  -0.365598D+01 -0.875239D+00 -0.369252D+01  0.409555D+00  0.272237D+01
               241           242           243 
      1  -0.121228D+02  0.273799D+00  0.925249D+01
      2   0.108137D+02  0.685770D+00 -0.922637D+01
      3   0.130910D+01 -0.959569D+00 -0.261123D-01
      4   0.751684D+00 -0.233585D+01  0.477235D+00
      5   0.180401D+02  0.106403D+01 -0.127712D+02
      6  -0.132457D+01  0.200093D+01 -0.281432D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.146430D+01      0.372188D+01      0.124149D+02
   y          0.466288D+00      0.118519D+01      0.395335D+01
   z          0.648282D+00      0.164777D+01      0.549637D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.160415D+03      0.237711D+02      0.264489D+02
   yx         0.622842D+01      0.922956D+00      0.102693D+01
   yy         0.104663D+03      0.155094D+02      0.172565D+02
   zx         0.405451D+01      0.600816D+00      0.668498D+00
   zy         0.409679D+01      0.607081D+00      0.675469D+00
   zz         0.107452D+03      0.159228D+02      0.177165D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132562D+03      0.196436D+02      0.218565D+02
   aniso      0.661775D+02      0.980649D+01      0.109112D+02
   xx         0.175088D+03      0.259453D+02      0.288680D+02
   yx         0.754988D+01      0.111878D+01      0.124481D+01
   yy         0.109926D+03      0.162893D+02      0.181243D+02
   zx         0.504923D+01      0.748218D+00      0.832505D+00
   zy         0.437036D+01      0.647620D+00      0.720575D+00
   zz         0.112672D+03      0.166963D+02      0.185771D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.27836191         -3.61710130          2.61046671
     6          1.50951590         -1.44398806          3.17764798
     6          1.77072531          0.70961947          1.11459093
     6         -0.32890338          0.86031149         -0.73141950
     6         -0.06501574          0.70888235         -3.23649688
     6         -2.14640079          0.84296564         -5.08775533
     8         -1.69388729          0.66987955         -7.33592982
     6          4.11513983         -2.44159599          3.89381125
     6          0.56016011          0.58879065          5.07141817
     6          1.55925238          2.67737994          3.29639630
     6         -4.83217440          1.18934480         -4.15633898
     1          1.34309249          0.50964838          6.97579973
     1         -1.49629311          0.60526589          5.21509600
     1          3.57383253          0.67817144          0.11660387
     1          0.31849597          4.28234775          2.94631595
     1          3.40403005          3.39551635          3.85696480
     1         -0.42718505         -4.86371366          4.25049697
     1          0.39998526         -4.74254338          1.01799543
     1         -2.17620762         -2.95726272          2.15202005
     1          4.91709408         -3.56395206          2.35761727
     1          3.99411432         -3.64399252          5.56831993
     1          5.42972759         -0.90739559          4.31140581
     1         -2.20827758          1.11578711          0.05396006
     1          1.78910303          0.46224388         -4.07681973
     1         -5.01717245          2.93836448         -3.07718033
     1         -5.38487775         -0.36572568         -2.91735034
     1         -6.09195916          1.25054972         -5.77772562

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.166789D+01      0.423937D+01      0.141410D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.114975D+03      0.170376D+02      0.189569D+02
   yx        -0.395703D+01     -0.586371D+00     -0.652426D+00
   yy         0.102783D+03      0.152309D+02      0.169467D+02
   zx         0.169253D+02      0.250808D+01      0.279061D+01
   zy        -0.419275D+01     -0.621302D+00     -0.691292D+00
   zz         0.154771D+03      0.229347D+02      0.255183D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132562D+03      0.196436D+02      0.218565D+02
   aniso      0.661775D+02      0.980649D+01      0.109112D+02
   xx         0.121168D+03      0.179552D+02      0.199779D+02
   yx        -0.429398D+01     -0.636302D+00     -0.707981D+00
   yy         0.107850D+03      0.159817D+02      0.177821D+02
   zx         0.198946D+02      0.294808D+01      0.328018D+01
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 WHAT THE SLIME CONTAINS, THE GLOWING REVEALS
 BY THE FLAME'S BRIGHT HUE WHEN YOU IGNITE IT.
   --  LEONARD THURNEYSSER, 1531-1596
 DESCRIBING HIS FLAME PHOTOLYSIS ANALYTIC METHOD
 Job cpu time:       0 days  3 hours  3 minutes 40.6 seconds.
 Elapsed time:       0 days  0 hours 23 minutes  2.0 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:03:44 2021.
